General Information of the Compound
| Compound ID |
CP0531650
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| Compound Name |
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C29H29FN6O
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| Molecular Weight |
496.59
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1
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| InChI |
InChI=1S/C29H29FN6O/c1-20-6-7-22(28(37)32-24-4-3-5-25(19-24)36-16-14-35(2)15-17-36)18-27(20)34-29-31-13-12-26(33-29)21-8-10-23(30)11-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,32,37)(H,31,33,34)
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| InChIKey |
PTVPYBZKLVYENB-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