General Information of the Compound
| Compound ID |
CP0458907
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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-pyridin-2-yl-benzamide
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| Structure |
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| Formula |
C35H29Cl2N5O4
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| Molecular Weight |
654.554
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccccn1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
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| InChI |
InChI=1S/C35H29Cl2N5O4/c1-22-9-13-24-6-5-7-29(34(24)40-22)46-21-26-27(36)16-17-28(33(26)37)42(2)32(44)20-39-31(43)18-12-23-10-14-25(15-11-23)35(45)41-30-8-3-4-19-38-30/h3-19H,20-21H2,1-2H3,(H,39,43)(H,38,41,45)/b18-12+
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| InChIKey |
ICFWCGSVUFNDOK-LDADJPATSA-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