General Information of the Compound
| Compound ID |
CP0497287
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| Compound Name |
1-butyl-N-(3,4-dichlorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Formula |
C25H26Cl2N4O
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| Molecular Weight |
469.416
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| Canonical SMILES |
CCCCN1CCN(Cc2cc(ccc12)-c1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H26Cl2N4O/c1-2-3-12-30-13-14-31(25(32)29-21-5-6-22(26)23(27)16-21)17-20-15-19(4-7-24(20)30)18-8-10-28-11-9-18/h4-11,15-16H,2-3,12-14,17H2,1H3,(H,29,32)
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| InChIKey |
FSCCXILSJVEYHI-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: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142