General Information of the Compound
| Compound ID |
CP0378324
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| Compound Name |
3-benzyl-8-chloro-1-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C27H21ClN2O2
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| Molecular Weight |
440.93
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| Canonical SMILES |
Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1ccccc1)NC2=O
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| InChI |
InChI=1S/C27H21ClN2O2/c28-22-12-13-23-25(16-22)30(17-19-10-11-20-8-4-5-9-21(20)14-19)27(32)24(29-26(23)31)15-18-6-2-1-3-7-18/h1-14,16,24H,15,17H2,(H,29,31)
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| InChIKey |
BZDRLTZGNVDUFJ-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: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor