General Information of the Compound
| Compound ID |
CP0467840
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| Compound Name |
N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H26F3N7O3
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| Molecular Weight |
601.589
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(F)(F)F)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C31H26F3N7O3/c1-18-23(3-2-4-24(18)38-29(42)19-5-9-21(10-6-19)31(32,33)34)26-39-27-25(35-17-36-27)28(40-26)37-22-11-7-20(8-12-22)30(43)41-13-15-44-16-14-41/h2-12,17H,13-16H2,1H3,(H,38,42)(H2,35,36,37,39,40)
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| InChIKey |
UEJHQOFZHQGGPE-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