General Information of the Compound
| Compound ID |
CP0476806
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| Compound Name |
[2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone
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| Structure |
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| Formula |
C23H25ClN4O
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| Molecular Weight |
408.933
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| Canonical SMILES |
CN(C)C1CCCN(C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)c2ccccc12
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| InChI |
InChI=1S/C23H25ClN4O/c1-16-12-14-28(25-16)17-10-11-18(20(24)15-17)23(29)27-13-6-9-21(26(2)3)19-7-4-5-8-22(19)27/h4-5,7-8,10-12,14-15,21H,6,9,13H2,1-3H3
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| InChIKey |
VEFAAARTOXGZIC-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