General Information of the Compound
| Compound ID |
CP0033753
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| Compound Name |
N-[2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H29N5O5
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| Molecular Weight |
527.581
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)c1c[nH]c2nc(Nc3ccc(cc3NC(=O)C=C)N3CCOCC3)ccc12
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| InChI |
InChI=1S/C29H29N5O5/c1-4-27(35)32-25-15-19(34-9-11-39-12-10-34)5-7-24(25)31-26-8-6-22-23(17-30-29(22)33-26)28(36)18-13-20(37-2)16-21(14-18)38-3/h4-8,13-17H,1,9-12H2,2-3H3,(H,32,35)(H2,30,31,33)
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| InChIKey |
YMFNEYWPMKYGQY-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