General Information of the Compound
| Compound ID |
CP0579491
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| Compound Name |
N-[2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H32N6O4
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| Molecular Weight |
540.624
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)c1c[nH]c2nc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)ccc12
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| InChI |
InChI=1S/C30H32N6O4/c1-5-28(37)33-26-16-20(36-12-10-35(2)11-13-36)6-8-25(26)32-27-9-7-23-24(18-31-30(23)34-27)29(38)19-14-21(39-3)17-22(15-19)40-4/h5-9,14-18H,1,10-13H2,2-4H3,(H,33,37)(H2,31,32,34)
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| InChIKey |
VBNPVHZLJCLFKL-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