General Information of the Compound
| Compound ID |
CP0549252
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cncnc2)c2cccnc12
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| InChI |
InChI=1S/C25H25N5O2/c31-23-6-2-1-4-21(23)29-25(32)20-15-30(22-5-3-11-28-24(20)22)14-17-7-9-18(10-8-17)19-12-26-16-27-13-19/h3,5,7-13,15-16,21,23,31H,1-2,4,6,14H2,(H,29,32)/t21-,23-/m0/s1
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| InChIKey |
FHNVPCGJXBZXLW-GMAHTHKFSA-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