General Information of the Compound
| Compound ID |
CP0699023
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| Compound Name |
4-[3'-(1''H-Imidazol-1''-yl)phenyl]-8-(4'''-iodophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C24H17IN4O
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| Molecular Weight |
504.331
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| Canonical SMILES |
O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccc(I)cc3)cc2N1
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| InChI |
InChI=1S/C24H17IN4O/c25-19-7-4-16(5-8-19)17-6-9-21-23(13-17)28-24(30)14-22(27-21)18-2-1-3-20(12-18)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30)
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| InChIKey |
GKMVXTBUXDRFHO-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