General Information of the Compound
| Compound ID |
CP0850018
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| Compound Name |
(2Z)-2-[1-(4-Azepan-1-yl-2-chlorobenzoyl)-4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene]-N-(pyridin-2-ylmethyl)acetamide hydrochloride
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| Structure |
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| Formula |
C31H32Cl2F2N4O2
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| Molecular Weight |
601.525
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| Canonical SMILES |
Cl.O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1
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| InChI |
InChI=1S/C31H31ClF2N4O2.ClH/c32-27-19-23(37-16-7-1-2-8-17-37)12-13-25(27)30(40)38-18-14-31(33,34)26(24-10-3-4-11-28(24)38)20-29(39)36-21-22-9-5-6-15-35-22;/h3-6,9-13,15,19-20H,1-2,7-8,14,16-18,21H2,(H,36,39);1H/b26-20-;
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| InChIKey |
PIUHNANHULCJBE-QUIVHVOCSA-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