General Information of the Compound
| Compound ID |
CP0451057
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| Compound Name |
N-[3-chloro-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-3-methylpyrazole-1-carboxamide
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| Structure |
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| Formula |
C22H21ClN4O2
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| Molecular Weight |
408.889
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| Canonical SMILES |
Cc1ccn(n1)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C22H21ClN4O2/c1-15-11-13-27(25-15)22(29)24-17-9-10-18(19(23)14-17)21(28)26-12-5-4-7-16-6-2-3-8-20(16)26/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,24,29)
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| InChIKey |
WLSCYTZXIQSDLZ-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: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor