General Information of the Compound
| Compound ID |
CP0574324
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| Compound Name |
(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C35H35FN8O2
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| Molecular Weight |
618.717
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(CN2CCCC[C@H]2C(N)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1
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| InChI |
InChI=1S/C35H35FN8O2/c1-22-6-7-26(17-31(22)42-35-38-13-12-30(41-35)25-8-10-27(36)11-9-25)34(46)40-28-15-24(16-29(18-28)44-19-23(2)39-21-44)20-43-14-4-3-5-32(43)33(37)45/h6-13,15-19,21,32H,3-5,14,20H2,1-2H3,(H2,37,45)(H,40,46)(H,38,41,42)/t32-/m0/s1
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| InChIKey |
RLBSTAFRIPOFEZ-YTTGMZPUSA-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