General Information of the Compound
| Compound ID |
CP0916697
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-pyrazol-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide hydrochloride
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| Structure |
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| Formula |
C35H33Cl3N6O4
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| Molecular Weight |
708.046
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| Canonical SMILES |
Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C35H32Cl2N6O4.ClH/c1-22-19-29(43-18-6-17-39-43)25-7-5-8-30(34(25)40-22)47-21-26-27(36)14-15-28(33(26)37)42(4)32(45)20-38-31(44)16-11-23-9-12-24(13-10-23)35(46)41(2)3;/h5-19H,20-21H2,1-4H3,(H,38,44);1H/b16-11+;
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| InChIKey |
UTFZUQDQGBRZML-YFMOEUEHSA-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