General Information of the Compound
| Compound ID |
CP0759378
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| Compound Name |
4-[3'-(1''H-Imidazol-1''-yl)phenyl]-7-methoxy-8-trifluoromethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C20H15F3N4O2
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| Molecular Weight |
400.36
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| Canonical SMILES |
COc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2
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| InChI |
InChI=1S/C20H15F3N4O2/c1-29-18-9-17-16(8-14(18)20(21,22)23)26-19(28)10-15(25-17)12-3-2-4-13(7-12)27-6-5-24-11-27/h2-9,11H,10H2,1H3,(H,26,28)
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| InChIKey |
YSKYRPZOEKFCGP-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