General Information of the Compound
| Compound ID |
CP0941844
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| Compound Name |
N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-pyridin-3-yl-acrylamide dihydrochloride
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| Structure |
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| Formula |
C28H26Cl4N4O3
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| Molecular Weight |
608.353
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4cccnc4)c3Cl)c2n1.Cl.Cl
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| InChI |
InChI=1S/C28H24Cl2N4O3.2ClH/c1-18-8-10-20-6-3-7-24(28(20)33-18)37-17-21-22(29)11-12-23(27(21)30)34(2)26(36)16-32-25(35)13-9-19-5-4-14-31-15-19;;/h3-15H,16-17H2,1-2H3,(H,32,35);2*1H/b13-9+;;
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| InChIKey |
MUVHTUJUFQLMEW-IGUOPLJTSA-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