General Information of the Compound
| Compound ID |
CP0454369
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| Compound Name |
3-benzyl-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C29H24N2O2
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| Molecular Weight |
432.523
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| Canonical SMILES |
O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C29H24N2O2/c32-28-25-17-9-10-18-27(25)31(29(33)26(30-28)19-21-11-3-1-4-12-21)20-23-15-7-8-16-24(23)22-13-5-2-6-14-22/h1-18,26H,19-20H2,(H,30,32)
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| InChIKey |
RONAYXZXQCHUAB-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
Protein ID: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01440, Melanocyte-stimulating hormone receptor