General Information of the Compound
| Compound ID |
CP0498314
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| Compound Name |
(3-Benzyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetic acid
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| Structure |
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| Formula |
C24H20N2O3
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| Molecular Weight |
384.435
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| Canonical SMILES |
OC(=O)CN1c2ccccc2C(=NC(Cc2ccccc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C24H20N2O3/c27-22(28)16-26-21-14-8-7-13-19(21)23(18-11-5-2-6-12-18)25-20(24(26)29)15-17-9-3-1-4-10-17/h1-14,20H,15-16H2,(H,27,28)
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| InChIKey |
TVOMJEVRCGOQDK-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