General Information of the Compound
| Compound ID |
CP0759372
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| Compound Name |
4-[3'-(1''H-Imidazol-1''-yl)phenyl]-8-(4'''-iodophenyl)-7-methoxy-2,3-dihydro-1H-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C25H19IN4O2
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| Molecular Weight |
534.357
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| Canonical SMILES |
COc1cc2c(cc1-c1ccc(I)cc1)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2
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| InChI |
InChI=1S/C25H19IN4O2/c1-32-24-13-23-22(12-20(24)16-5-7-18(26)8-6-16)29-25(31)14-21(28-23)17-3-2-4-19(11-17)30-10-9-27-15-30/h2-13,15H,14H2,1H3,(H,29,31)
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| InChIKey |
JWQKUQDLRNRHOC-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