General Information of the Compound
| Compound ID |
CP0915387
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| Compound Name |
2,6-difluoro-N-(3-(2-isopropyl-5-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl)thiazol-4-yl)phenyl)benzamide
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| Structure |
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| Formula |
C33H30F2N6OS
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| Molecular Weight |
596.707
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)s1
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| InChI |
InChI=1S/C33H30F2N6OS/c1-19(2)32-40-29(21-6-4-7-23(16-21)37-31(42)28-25(34)8-5-9-26(28)35)30(43-32)27-12-14-36-33(39-27)38-24-11-10-20-13-15-41(3)18-22(20)17-24/h4-12,14,16-17,19H,13,15,18H2,1-3H3,(H,37,42)(H,36,38,39)
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| InChIKey |
JMTLTJSFIRBAFK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound