General Information of the Compound
| Compound ID |
CP0504534
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| Compound Name |
6-[1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H19F3N4O
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| Molecular Weight |
412.415
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| Canonical SMILES |
NC(=O)c1cccc(n1)-c1ccc2N(CCNCc2c1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N4O/c23-22(24,25)16-5-7-17(8-6-16)29-11-10-27-13-15-12-14(4-9-20(15)29)18-2-1-3-19(28-18)21(26)30/h1-9,12,27H,10-11,13H2,(H2,26,30)
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| InChIKey |
YZMMKSQTJKVXCK-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