General Information of the Compound
| Compound ID |
CP0384464
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1u
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| Structure |
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| Formula |
C27H28ClF2N5O2
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| Molecular Weight |
528.003
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| Canonical SMILES |
CN(C)CCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
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| InChI |
InChI=1S/C27H28ClF2N5O2/c1-18-10-13-35(32-18)19-8-9-21(23(28)16-19)26(37)34-14-11-27(29,30)22(20-6-4-5-7-24(20)34)17-25(36)31-12-15-33(2)3/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,31,36)/b22-17-
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| InChIKey |
XOUHJUVMKMDVFQ-XLNRJJMWSA-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