General Information of the Compound
| Compound ID |
CP0526758
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| Compound Name |
N-[2-[(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(Cc2ccccc2NC(=O)c2ccc(Nc3ncc(C)c(n3)-c3ccc(OC(F)(F)F)cc3)cc2)CC1
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| InChI |
InChI=1S/C31H31F3N6O2/c1-21-19-35-30(38-28(21)22-9-13-26(14-10-22)42-31(32,33)34)36-25-11-7-23(8-12-25)29(41)37-27-6-4-3-5-24(27)20-40-17-15-39(2)16-18-40/h3-14,19H,15-18,20H2,1-2H3,(H,37,41)(H,35,36,38)
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| InChIKey |
UDIIBJYQANEXKE-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