General Information of the Compound
| Compound ID |
CP0916369
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-[1,2,3]triazol-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 |
C34H32Cl3N7O4
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| Molecular Weight |
709.034
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| Canonical SMILES |
Cc1cc(-n2ccnn2)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/C34H31Cl2N7O4.ClH/c1-21-18-28(43-17-16-38-40-43)24-6-5-7-29(33(24)39-21)47-20-25-26(35)13-14-27(32(25)36)42(4)31(45)19-37-30(44)15-10-22-8-11-23(12-9-22)34(46)41(2)3;/h5-18H,19-20H2,1-4H3,(H,37,44);1H/b15-10+;
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| InChIKey |
NDCDZTGIEHKONY-GYVLLFFHSA-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