General Information of the Compound
| Compound ID |
CP0387122
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| Compound Name |
1-[2-chloro-4-(3-methylpyrazol-1-yl)benzoyl]-3,4-dihydro-2H-1-benzazepin-5-one
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| Structure |
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| Formula |
C21H18ClN3O2
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| Molecular Weight |
379.847
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
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| InChIKey |
CSUVIYPWZHXAHY-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor