General Information of the Compound
| Compound ID |
CP0918770
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-[1,2,4]triazol-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide dihydrochloride
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| Structure |
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| Formula |
C33H33Cl6N7O4
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| Molecular Weight |
804.39
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(-n5cncn5)cc(C)nc34)c2Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C33H29Cl2N7O4.4ClH/c1-20-15-27(42-19-37-18-39-42)23-5-4-6-28(32(23)40-20)46-17-24-25(34)12-13-26(31(24)35)41(3)30(44)16-38-29(43)14-9-21-7-10-22(11-8-21)33(45)36-2;;;;/h4-15,18-19H,16-17H2,1-3H3,(H,36,45)(H,38,43);4*1H/b14-9+;;;;
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| InChIKey |
NGCCSIMAWJNUSW-GPZOHOMCSA-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