General Information of the Compound
| Compound ID |
CP0540629
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-oxidopyrazol-1-ium-1-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)[N+]2([O-])C=CC=N2)c2cccnc12
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| InChI |
InChI=1S/C24H25N5O3/c30-22-7-2-1-5-20(22)27-24(31)19-16-28(21-6-3-12-25-23(19)21)15-17-8-10-18(11-9-17)29(32)14-4-13-26-29/h3-4,6,8-14,16,20,22,30H,1-2,5,7,15H2,(H,27,31)/t20-,22-,29?/m0/s1
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| InChIKey |
CNXZHDYLGXXFAH-YJMVJEHNSA-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