General Information of the Compound
| Compound ID |
CP0457937
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| Compound Name |
1-benzyl-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C25H21N3O2
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| Molecular Weight |
395.462
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| Canonical SMILES |
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H21N3O2/c29-24-20-11-5-7-13-23(20)28(16-17-8-2-1-3-9-17)25(30)22(27-24)14-18-15-26-21-12-6-4-10-19(18)21/h1-13,15,22,26H,14,16H2,(H,27,29)
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| InChIKey |
YEQKJKZQLXZDFA-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: PT01528, Melanocortin receptor 5