General Information of the Compound
| Compound ID |
CP0450617
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| Compound Name |
N-[(3S,4R)-3-hydroxyoxan-4-yl]-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 |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCOC[C@H]2O)cc1
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| InChI |
InChI=1S/C25H27N5O3/c1-29-10-7-19-18(13-16-3-5-17(6-4-16)20-8-11-30(2)28-20)14-22(26-24(19)29)25(32)27-21-9-12-33-15-23(21)31/h3-8,10-11,14,21,23,31H,9,12-13,15H2,1-2H3,(H,27,32)/t21-,23-/m1/s1
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| InChIKey |
NEPARMOYJQSFNQ-FYYLOGMGSA-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