General Information of the Compound
| Compound ID |
CP0850016
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| Compound Name |
(2Z)-2-{1-[2-Chloro-4-(3-ethyl-1H-pyrazol-1-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 |
C30H27Cl2F2N5O2
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| Molecular Weight |
598.481
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| Canonical SMILES |
CCc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1.Cl
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| InChI |
InChI=1S/C30H26ClF2N5O2.ClH/c1-2-20-12-15-38(36-20)22-10-11-24(26(31)17-22)29(40)37-16-13-30(32,33)25(23-8-3-4-9-27(23)37)18-28(39)35-19-21-7-5-6-14-34-21;/h3-12,14-15,17-18H,2,13,16,19H2,1H3,(H,35,39);1H/b25-18-;
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| InChIKey |
UJLMQXCHEFKSJH-OYEQKBROSA-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