General Information of the Compound
| Compound ID |
CP0785209
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| Compound Name |
{8-[2,6-Dichloro-3-(methyl-{2-[(E)-3-(4-methylcarbamoyl-phenyl)-acryloylamino]-acetyl}-amino)-benzyloxy]-2-methyl-quinolin-4-yloxy}-acetic acid ethyl ester hydrochloride
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| Structure |
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| Formula |
C35H35Cl3N4O7
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| Molecular Weight |
730.045
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| Canonical SMILES |
CCOC(=O)COc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NC)cc4)c3Cl)cccc12.Cl
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| InChI |
InChI=1S/C35H34Cl2N4O7.ClH/c1-5-46-32(44)20-48-29-17-21(2)40-34-24(29)7-6-8-28(34)47-19-25-26(36)14-15-27(33(25)37)41(4)31(43)18-39-30(42)16-11-22-9-12-23(13-10-22)35(45)38-3;/h6-17H,5,18-20H2,1-4H3,(H,38,45)(H,39,42);1H/b16-11+;
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| InChIKey |
INTSNLWLZLLGJT-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