General Information of the Compound
| Compound ID |
CP0755295
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-cyclopentyloxy-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide hydrochloride
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| Structure |
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| Formula |
C36H37Cl3N4O5
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| Molecular Weight |
712.074
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OC5CCCC5)cc(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C36H36Cl2N4O5.ClH/c1-22-19-31(47-25-7-4-5-8-25)26-9-6-10-30(35(26)41-22)46-21-27-28(37)16-17-29(34(27)38)42(3)33(44)20-40-32(43)18-13-23-11-14-24(15-12-23)36(45)39-2;/h6,9-19,25H,4-5,7-8,20-21H2,1-3H3,(H,39,45)(H,40,43);1H/b18-13+;
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| InChIKey |
KFHSJKKWLRAHAM-PUBYZPQMSA-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