General Information of the Compound
| Compound ID |
CP0576832
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| Compound Name |
N-[2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H26N6O4
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| Molecular Weight |
522.565
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)c1c[nH]c2nc(Nc3ccc(cc3NC(=O)C=C)-c3cnn(C)c3)ccc12
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| InChI |
InChI=1S/C29H26N6O4/c1-5-27(36)33-25-12-17(19-14-31-35(2)16-19)6-8-24(25)32-26-9-7-22-23(15-30-29(22)34-26)28(37)18-10-20(38-3)13-21(11-18)39-4/h5-16H,1H2,2-4H3,(H,33,36)(H2,30,32,34)
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| InChIKey |
FKFWVUXFUKUSBI-UHFFFAOYSA-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