General Information of the Compound
| Compound ID |
CP0412638
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| Compound Name |
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1
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| InChI |
InChI=1S/C26H29N5O2/c1-30-13-11-20-19(15-17-7-9-18(10-8-17)21-12-14-31(2)29-21)16-23(27-25(20)30)26(33)28-22-5-3-4-6-24(22)32/h7-14,16,22,24,32H,3-6,15H2,1-2H3,(H,28,33)/t22-,24-/m1/s1
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| InChIKey |
QNEDIFOFDSOSLY-ISKFKSNPSA-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