General Information of the Compound
| Compound ID |
CP0066014
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| Compound Name |
7-[6-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
NC(=O)N1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)[C@H](O)CO
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| InChI |
InChI=1S/C24H23F3N4O3/c25-24(26,27)17-5-7-18(8-6-17)31-11-10-30(23(28)34)13-16-12-15(4-9-21(16)31)19-2-1-3-20(29-19)22(33)14-32/h1-9,12,22,32-33H,10-11,13-14H2,(H2,28,34)/t22-/m1/s1
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| InChIKey |
XVIJUQXXWONJQK-JOCHJYFZSA-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