General Information of the Compound
| Compound ID |
CP0219129
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| Compound Name |
4-[2-[[1-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]triazol-4-yl]methoxy]ethoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C34H36ClN9O4S
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| Molecular Weight |
702.241
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCOCc1cn(CCNc2c3CCCCc3nc3cc(Cl)ccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C34H36ClN9O4S/c1-36-32(46)30-33(41-34(49-30)21-10-11-37-28(16-21)40-31(45)20-6-7-20)48-15-14-47-19-23-18-44(43-42-23)13-12-38-29-24-4-2-3-5-26(24)39-27-17-22(35)8-9-25(27)29/h8-11,16-18,20H,2-7,12-15,19H2,1H3,(H,36,46)(H,38,39)(H,37,40,45)
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| InChIKey |
LBZYUTMWCPFGPD-UHFFFAOYSA-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