General Information of the Compound
| Compound ID |
CP0901926
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| Compound Name |
N*1*,N*3*-Dimethyl-4-(2-{[3-(6-methylcarbamoyl-pyridin-3-yl)-acryloylamino]-methyl}-pyrrol-1-yl)-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide
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| Structure |
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| Formula |
C36H37Cl2N7O5
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| Molecular Weight |
718.642
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(C(=O)NC)c(COc3cccc4ccc(C)nc34)c2C(=O)NC)cn1.Cl.Cl
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| InChI |
InChI=1S/C36H35N7O5.2ClH/c1-22-10-13-24-7-5-9-30(33(24)42-22)48-21-27-26(34(45)37-2)14-16-29(32(27)36(47)39-4)43-18-6-8-25(43)20-41-31(44)17-12-23-11-15-28(40-19-23)35(46)38-3;;/h5-19H,20-21H2,1-4H3,(H,37,45)(H,38,46)(H,39,47)(H,41,44);2*1H/b17-12+;;
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| InChIKey |
YCCNKEYQJFUUEG-CWQUOYFRSA-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