General Information of the Compound
| Compound ID |
CP0187219
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| Compound Name |
Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylamino-piperidin-1-yl)-2-oxo-ethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl}-phenyl)-amide
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| Synonyms |
YM 471
YM-471
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| Structure |
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| Formula |
C39H38F2N4O3
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| Molecular Weight |
648.754
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| Canonical SMILES |
CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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| InChIKey |
ICRPTZMWRJGNQI-CLIDGEQKSA-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor
Clinical Information about the Compound