General Information of the Compound
| Compound ID |
CP0878952
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-4-yl-benzamide; Trihydrochloride
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| Structure |
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| Formula |
C40H39Cl3N6O4
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| Molecular Weight |
774.149
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| Canonical SMILES |
Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C40H38Cl2N6O4.ClH/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-28(13-10-27)40(51)46-29-17-19-43-20-18-29;/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,43,46,51);1H/b16-11+;
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| InChIKey |
DWHAMPYHNLHWKD-YFMOEUEHSA-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