General Information of the Compound
| Compound ID |
CP0455617
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-1-(quinolin-6-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12
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| InChI |
InChI=1S/C24H24N4O2/c29-22-8-2-1-6-20(22)27-24(30)18-15-28(21-7-4-12-26-23(18)21)14-16-9-10-19-17(13-16)5-3-11-25-19/h3-5,7,9-13,15,20,22,29H,1-2,6,8,14H2,(H,27,30)/t20-,22-/m0/s1
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| InChIKey |
NZABUGASWCRVSP-UNMCSNQZSA-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