Physical and chemical properties for SGC-CAF382-1
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Molecular weight
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366.50
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Molecular formula
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C16H22N4O2S2
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IUPAC name
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N-(5-(((5-isopropyloxazol-2-yl)methyl)thio)thiazol-2-yl)piperidine-4-carboxamide
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ClogP
|
0.16
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PSA
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133.59
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No. of chiral centers
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0
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No. of rotatable bonds
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7
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No. of hydrogen bond acceptors
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5
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No. of hydrogen bond donors
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2
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Storage
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Stable as a solid at room temperature. DMSO stock solutions (up to 10 mM) are stable at -20oC
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Dissolution
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Soluble in DMSO up to 10 mM
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Physical and chemical properties for SGC-CAF268-1N
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Molecular weight
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493.57
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Molecular formula
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C22H22F3N5OS2
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IUPAC name
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2-(4-methylpiperazin-1-yl)-N-(5-((3-(trifluoromethyl)benzyl)thio)thiazol-2-yl)isonicotinamide
|
ClogP
|
2.33
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PSA
|
114.90
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No. of chiral centers
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0
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No. of rotatable bonds
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8
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No. of hydrogen bond acceptors
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7
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No. of hydrogen bond donors
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1
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Storage
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Stable as a solid at room temperature. DMSO stock solutions (up to 10 mM) are stable at -20oC
|
Dissolution
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Soluble in DMSO up to 10 mM
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SMILES:
SGC-CAF382-1: O=C(NC1=NC=C(S1)SCC2=NC=C(O2)C(C)C)C3CCNCC3
SGC-CAF268-1N: O=C(C1=CC=NC(N2CCN(CC2)C)=C1)NC3=NC=C(S3)SCC4=CC=CC(C(F)(F)F)=C4
InChI:
SGC-CAF382-1: InChI=1S/C16H22N4O2S2/c1-10(2)12-7-18-13(22-12)9-23-14-8-19-16(24-14)20-15(21)11-3-5-17-6-4-11/h7-8,10-11,17H,3-6,9H2,1-2H3,(H,19,20,21)
SGC-CAF268-1N: InChI=1S/C22H22F3N5OS2/c1-29-7-9-30(10-8-29)18-12-16(5-6-26-18)20(31)28-21-27-13-19(33-21)32-14-15-3-2-4-17(11-15)22(23,24)25/h2-6,11-13H,7-10,14H2,1H3,(H,27,28,31)
InChIKey:
SGC-CAF382-1: MCLDWKVRXDHDEI-UHFFFAOYSA-N
SGC-CAF268-1N: RUYKDMMLESXEOA-UHFFFAOYSA-N