General Information of the Compound
| Compound ID |
CP0467466
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| Compound Name |
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C31H31F3N6O2
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| Molecular Weight |
576.623
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3ccc(Nc4ncc(C)c(n4)-c4ccc(OC(F)(F)F)cc4)cc3)cc2)CC1
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| InChI |
InChI=1S/C31H31F3N6O2/c1-21-19-35-30(38-28(21)23-7-13-27(14-8-23)42-31(32,33)34)37-26-11-5-24(6-12-26)29(41)36-25-9-3-22(4-10-25)20-40-17-15-39(2)16-18-40/h3-14,19H,15-18,20H2,1-2H3,(H,36,41)(H,35,37,38)
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| InChIKey |
YKMMHHMQPMVYSR-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