General Information of the Compound
| Compound ID |
CP0534286
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| Compound Name |
1-[4-[(4-benzamidopyrimidin-2-yl)amino]-5-methoxy-2-(prop-2-enoylamino)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C27H29N7O4
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| Molecular Weight |
515.574
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| Canonical SMILES |
COc1cc(N2CCC(CC2)C(N)=O)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C27H29N7O4/c1-3-24(35)30-19-15-20(22(38-2)16-21(19)34-13-10-17(11-14-34)25(28)36)31-27-29-12-9-23(33-27)32-26(37)18-7-5-4-6-8-18/h3-9,12,15-17H,1,10-11,13-14H2,2H3,(H2,28,36)(H,30,35)(H2,29,31,32,33,37)
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| InChIKey |
FQQIBHZUSATOSF-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