General Information of the Compound
Compound ID |
CP0455619
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Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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Structure |
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Formula |
C29H28N6O2
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Molecular Weight |
492.583
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Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cc(cn2)-c2ccncc2)c2cccnc12
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InChI |
InChI=1S/C29H28N6O2/c36-27-6-2-1-4-25(27)33-29(37)24-19-34(26-5-3-13-31-28(24)26)17-20-7-9-23(10-8-20)35-18-22(16-32-35)21-11-14-30-15-12-21/h3,5,7-16,18-19,25,27,36H,1-2,4,6,17H2,(H,33,37)/t25-,27-/m0/s1
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InChIKey |
SPYKOYGHUURXMU-BDYUSTAISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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