General Information of the Compound
| Compound ID |
CP0378325
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| Compound Name |
8-chloro-3-(1H-indol-3-ylmethyl)-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C29H22ClN3O2
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| Molecular Weight |
479.967
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| Canonical SMILES |
Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1c[nH]c3ccccc13)NC2=O
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| InChI |
InChI=1S/C29H22ClN3O2/c30-22-11-12-24-27(15-22)33(17-18-9-10-19-5-1-2-6-20(19)13-18)29(35)26(32-28(24)34)14-21-16-31-25-8-4-3-7-23(21)25/h1-13,15-16,26,31H,14,17H2,(H,32,34)
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| InChIKey |
KYBZSOAEPBZBSJ-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