General Information of the Compound
| Compound ID |
CP0502091
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| Compound Name |
1-benzyl-3-[(1-benzylindol-3-yl)methyl]-9-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C33H29N3O2
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| Molecular Weight |
499.614
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| Canonical SMILES |
Cc1cccc2c1N(Cc1ccccc1)C(=O)C(Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O
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| InChI |
InChI=1S/C33H29N3O2/c1-23-11-10-17-28-31(23)36(21-25-14-6-3-7-15-25)33(38)29(34-32(28)37)19-26-22-35(20-24-12-4-2-5-13-24)30-18-9-8-16-27(26)30/h2-18,22,29H,19-21H2,1H3,(H,34,37)
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| InChIKey |
AZKFUYPRWRRXSX-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
Protein ID: PT01440, Melanocyte-stimulating hormone receptor