General Information of the Compound
| Compound ID |
CP0567101
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| Compound Name |
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C25H27F3N6O
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| Molecular Weight |
484.526
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| Canonical SMILES |
CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H27F3N6O/c1-32-11-13-34(14-12-32)21-9-7-20(8-10-21)31-24(35)22-15-23(30-17-29-22)33(2)16-18-3-5-19(6-4-18)25(26,27)28/h3-10,15,17H,11-14,16H2,1-2H3,(H,31,35)
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| InChIKey |
SNIHPFWHOVWJTR-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