General Information of the Compound
| Compound ID |
CP0392561
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| Compound Name |
(E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[6-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
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| Structure |
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| Formula |
C35H29Cl2N5O3
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| Molecular Weight |
638.555
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
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| InChI |
InChI=1S/C35H29Cl2N5O3/c1-23-6-10-26-4-3-5-31(35(26)41-23)45-22-28-29(36)13-14-30(34(28)37)42(2)33(44)21-40-32(43)15-9-25-8-12-27(39-20-25)11-7-24-16-18-38-19-17-24/h3-20H,21-22H2,1-2H3,(H,40,43)/b11-7+,15-9+
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| InChIKey |
OAAFTZUDQXISKK-BIUQSXLLSA-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