General Information of the Compound
| Compound ID |
CP0490346
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| Compound Name |
3-(4-aminobutyl)-1-benzyl-8-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C20H22ClN3O2
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| Molecular Weight |
371.868
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| Canonical SMILES |
NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C20H22ClN3O2/c21-15-9-10-16-18(12-15)24(13-14-6-2-1-3-7-14)20(26)17(23-19(16)25)8-4-5-11-22/h1-3,6-7,9-10,12,17H,4-5,8,11,13,22H2,(H,23,25)
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| InChIKey |
YJDGJKULBWAHHK-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