General Information of the Compound
| Compound ID |
CP0845346
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| Compound Name |
(2Z)-2-{1-[2-Chloro-4-(2H-indazol-2-yl)benzoyl]-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 |
C32H25Cl2F2N5O2
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| Molecular Weight |
620.487
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| Canonical SMILES |
Cl.O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cc4ccccc4n3)cc2Cl)CCC1(F)F)NCc1ccccn1
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| InChI |
InChI=1S/C32H24ClF2N5O2.ClH/c33-27-17-23(40-20-21-7-1-3-10-28(21)38-40)12-13-25(27)31(42)39-16-14-32(34,35)26(24-9-2-4-11-29(24)39)18-30(41)37-19-22-8-5-6-15-36-22;/h1-13,15,17-18,20H,14,16,19H2,(H,37,41);1H/b26-18-;
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| InChIKey |
ANHXYECCKPTHFF-ZVOSEVRTSA-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