General Information of the Compound
| Compound ID |
CP0476644
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| Compound Name |
(4-pyrimidin-2-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
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| Structure |
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| Formula |
C21H19N3O
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| Molecular Weight |
329.403
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| Canonical SMILES |
O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ncccn1
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| InChI |
InChI=1S/C21H19N3O/c25-21(24-15-4-3-7-16-6-1-2-8-19(16)24)18-11-9-17(10-12-18)20-22-13-5-14-23-20/h1-2,5-6,8-14H,3-4,7,15H2
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| InChIKey |
ZJPXAVVKRGAFRV-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