General Information of the Compound
| Compound ID |
CP0412395
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| Compound Name |
N-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H28N8O2
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| Molecular Weight |
472.553
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nccc(NC(=O)Nc3cccc(NC(=O)C=C)c3)n2)cc1
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| InChI |
InChI=1S/C25H28N8O2/c1-3-23(34)27-19-5-4-6-20(17-19)29-25(35)31-22-11-12-26-24(30-22)28-18-7-9-21(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,27,34)(H3,26,28,29,30,31,35)
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| InChIKey |
PCPQPMXPSNGQKS-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