General Information of the Compound
| Compound ID |
CP0374209
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1d
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| Structure |
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| Formula |
C30H25ClF2N4O2
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| Molecular Weight |
547.005
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccc3)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C30H25ClF2N4O2/c1-20-13-15-37(35-20)22-11-12-24(26(31)17-22)29(39)36-16-14-30(32,33)25(23-9-5-6-10-27(23)36)18-28(38)34-19-21-7-3-2-4-8-21/h2-13,15,17-18H,14,16,19H2,1H3,(H,34,38)/b25-18-
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| InChIKey |
VXSFROCWTXUWPF-BWAHOGKJSA-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