General Information of the Compound
| Compound ID |
CP0885928
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-4-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C36H41Cl6N5O5
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| Molecular Weight |
836.472
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| Canonical SMILES |
Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C36H37Cl2N5O5.4ClH/c1-23-20-30(43-16-18-47-19-17-43)26-6-5-7-31(35(26)40-23)48-22-27-28(37)13-14-29(34(27)38)42(4)33(45)21-39-32(44)15-10-24-8-11-25(12-9-24)36(46)41(2)3;;;;/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,44);4*1H/b15-10+;;;;
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| InChIKey |
WYGASWGOFJTMHD-VYYKFXENSA-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