General Information of the Compound
| Compound ID |
CP0942235
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| Compound Name |
3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide dihydrochloride
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| Structure |
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| Formula |
C32H35Cl2N5O4
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| Molecular Weight |
624.569
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cn1.Cl.Cl
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| InChI |
InChI=1S/C32H33N5O4.2ClH/c1-20-9-14-27(22(3)26(20)19-41-28-8-6-7-25-13-10-21(2)35-32(25)28)37(5)31(40)18-34-30(39)16-12-24-11-15-29(33-17-24)36-23(4)38;;/h6-17H,18-19H2,1-5H3,(H,34,39)(H,33,36,38);2*1H/b16-12+;;
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| InChIKey |
HIEUPZYPDIPDNU-LPMXOWGUSA-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