General Information of the Compound
| Compound ID |
CP0907760
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| Compound Name |
N*1*,N*3*-Dimethyl-4-(methyl-{2-[3-(6-methylcarbamoyl-pyridin-3-yl)-acryloylamino]-acetyl}-amino)-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide
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| Structure |
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| Formula |
C34H37Cl2N7O6
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| Molecular Weight |
710.619
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C(=O)NC)c(COc3cccc4ccc(C)nc34)c2C(=O)NC)cn1.Cl.Cl
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| InChI |
InChI=1S/C34H35N7O6.2ClH/c1-20-9-12-22-7-6-8-27(31(22)40-20)47-19-24-23(32(44)35-2)13-15-26(30(24)34(46)37-4)41(5)29(43)18-39-28(42)16-11-21-10-14-25(38-17-21)33(45)36-3;;/h6-17H,18-19H2,1-5H3,(H,35,44)(H,36,45)(H,37,46)(H,39,42);2*1H/b16-11+;;
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| InChIKey |
RNVQIXPNRNDWIN-RPVSWQTKSA-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