General Information of the Compound
| Compound ID |
CP0271294
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| Compound Name |
6-[4-acetyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H21F3N4O2
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| Molecular Weight |
454.452
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)C(N)=O
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| InChI |
InChI=1S/C24H21F3N4O2/c1-15(32)30-11-12-31(19-8-6-18(7-9-19)24(25,26)27)22-10-5-16(13-17(22)14-30)20-3-2-4-21(29-20)23(28)33/h2-10,13H,11-12,14H2,1H3,(H2,28,33)
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| InChIKey |
OZCMNHNQHPBBRI-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