General Information of the Compound
| Compound ID |
CP0406706
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| Compound Name |
benzazepinelidene acetamide derivative, 1c
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| Structure |
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| Formula |
C26H23F5N4O3
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| Molecular Weight |
534.485
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F5N4O3/c1-16-8-11-35(33-16)17-6-7-19(21(14-17)26(29,30)31)24(38)34-12-9-25(27,28)20(15-23(37)32-10-13-36)18-4-2-3-5-22(18)34/h2-8,11,14-15,36H,9-10,12-13H2,1H3,(H,32,37)/b20-15-
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| InChIKey |
QIWHQQDKCXSHTL-HKWRFOASSA-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