General Information of the Compound
| Compound ID |
CP0058589
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1q
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| Structure |
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| Formula |
C23H18ClF2N3O3
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| Molecular Weight |
457.864
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(O)=O)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C23H18ClF2N3O3/c1-14-8-10-29(27-14)15-6-7-17(19(24)12-15)22(32)28-11-9-23(25,26)18(13-21(30)31)16-4-2-3-5-20(16)28/h2-8,10,12-13H,9,11H2,1H3,(H,30,31)/b18-13-
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| InChIKey |
WWYOUXCBBIIJAP-AQTBWJFISA-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