General Information of the Compound
| Compound ID |
CP0919762
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide hydrochloride
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| Structure |
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| Formula |
C32H31Cl3N4O4
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| Molecular Weight |
641.983
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| Canonical SMILES |
Cc1ccc2cccc(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/C32H30Cl2N4O4.ClH/c1-20-8-12-22-6-5-7-27(31(22)36-20)42-19-24-25(33)15-16-26(30(24)34)38(4)29(40)18-35-28(39)17-11-21-9-13-23(14-10-21)32(41)37(2)3;/h5-17H,18-19H2,1-4H3,(H,35,39);1H/b17-11+;
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| InChIKey |
YOXVVCKOBDABAZ-SJDTYFKWSA-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