General Information of the Compound
| Compound ID |
CP0387530
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1w
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| Structure |
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| Formula |
C25H22ClF2N5O3
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| Molecular Weight |
513.932
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCC(N)=O)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C25H22ClF2N5O3/c1-15-8-10-33(31-15)16-6-7-18(20(26)12-16)24(36)32-11-9-25(27,28)19(13-23(35)30-14-22(29)34)17-4-2-3-5-21(17)32/h2-8,10,12-13H,9,11,14H2,1H3,(H2,29,34)(H,30,35)/b19-13-
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| InChIKey |
YFMAYAHNRGYBRU-UYRXBGFRSA-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