General Information of the Compound
| Compound ID |
CP0580067
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| Compound Name |
N-[2-[[3-(2,6-dichloro-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 |
C29H24Cl2N6O4
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| Molecular Weight |
591.455
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccc(cc4NC(=O)C=C)-c4cnn(C)c4)ccc23)c1Cl
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| InChI |
InChI=1S/C29H24Cl2N6O4/c1-5-24(38)35-20-10-15(16-12-33-37(2)14-16)6-8-19(20)34-23-9-7-17-18(13-32-29(17)36-23)28(39)25-26(30)21(40-3)11-22(41-4)27(25)31/h5-14H,1H2,2-4H3,(H,35,38)(H2,32,34,36)
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| InChIKey |
ONTQFAKPCCYEBM-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