General Information of the Compound
| Compound ID |
CP0394552
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| Compound Name |
[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C19H22N2O/c1-20(2)17-12-10-16(11-13-17)19(22)21-14-6-5-8-15-7-3-4-9-18(15)21/h3-4,7,9-13H,5-6,8,14H2,1-2H3
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| InChIKey |
INZAROOSMJAFEE-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