General Information of the Compound
| Compound ID |
CP0431701
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| Compound Name |
4-{(E)-2-[({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H34N4O6
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| Molecular Weight |
582.657
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(OC)c(COc3cccc4ccc(C)nc34)c2OC)cc1
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| InChI |
InChI=1S/C33H34N4O6/c1-21-9-13-23-7-6-8-28(31(23)36-21)43-20-25-27(41-4)17-16-26(32(25)42-5)37(3)30(39)19-35-29(38)18-12-22-10-14-24(15-11-22)33(40)34-2/h6-18H,19-20H2,1-5H3,(H,34,40)(H,35,38)/b18-12+
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| InChIKey |
GQOBRKVINZPHJP-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