General Information of the Compound
| Compound ID |
CP0902835
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| Compound Name |
4-[3-({[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-ureido]-N-pyridin-4-yl-benzamide; trihydrochloride
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| Structure |
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| Formula |
C36H31Cl3N8O4
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| Molecular Weight |
746.055
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| Canonical SMILES |
Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C36H30Cl2N8O4.ClH/c1-22-18-30(46-17-16-40-21-46)26-4-3-5-31(34(26)42-22)50-20-27-28(37)10-11-29(33(27)38)45(2)32(47)19-41-36(49)44-24-8-6-23(7-9-24)35(48)43-25-12-14-39-15-13-25;/h3-18,21H,19-20H2,1-2H3,(H,39,43,48)(H2,41,44,49);1H
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| InChIKey |
BILOSQNGCXHUNO-UHFFFAOYSA-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