General Information of the Compound
| Compound ID |
CP0893009
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| Compound Name |
N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[6-(2-oxo-pyrrolidin-1-yl)-pyridin-3-yl]-acrylamide dihydrochloride
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| Structure |
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| Formula |
C34H37Cl2N5O4
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| Molecular Weight |
650.607
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)nc4)c3C)c2n1.Cl.Cl
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| InChI |
InChI=1S/C34H35N5O4.2ClH/c1-22-10-15-28(24(3)27(22)21-43-29-8-5-7-26-14-11-23(2)37-34(26)29)38(4)33(42)20-36-31(40)17-13-25-12-16-30(35-19-25)39-18-6-9-32(39)41;;/h5,7-8,10-17,19H,6,9,18,20-21H2,1-4H3,(H,36,40);2*1H/b17-13+;;
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| InChIKey |
WNNYHMFNAKMTJT-ZEIDDFDZSA-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