General Information of the Compound
| Compound ID |
CP0219132
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| Compound Name |
N-methyl-4-(2-methylpropoxy)-2-[2-[[2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C31H37N7O3S
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| Molecular Weight |
587.75
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC(C)C)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C31H37N7O3S/c1-19(2)18-41-30-28(29(40)32-3)42-31(38-30)20-12-13-34-25(16-20)37-26(39)17-33-14-15-35-27-21-8-4-6-10-23(21)36-24-11-7-5-9-22(24)27/h4,6,8,10,12-13,16,19,33H,5,7,9,11,14-15,17-18H2,1-3H3,(H,32,40)(H,35,36)(H,34,37,39)
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| InChIKey |
XGMUXKFWISFHAG-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