General Information of the Compound
| Compound ID |
CP0410988
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| Compound Name |
[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
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| Structure |
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| Formula |
C23H26N4O
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| Molecular Weight |
374.488
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| Canonical SMILES |
CN(C)C1CCCN(C(=O)c2ccc(cc2)-n2ccc(C)n2)c2ccccc12
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| InChI |
InChI=1S/C23H26N4O/c1-17-14-16-27(24-17)19-12-10-18(11-13-19)23(28)26-15-6-9-21(25(2)3)20-7-4-5-8-22(20)26/h4-5,7-8,10-14,16,21H,6,9,15H2,1-3H3
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| InChIKey |
QXGRXDKEUNNREG-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