General Information of the Compound
| Compound ID |
CP0264596
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| Compound Name |
4-(cyclopropylmethoxy)-N-methyl-2-[2-[[2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C37H47N7O3S
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| Molecular Weight |
669.896
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C37H47N7O3S/c1-38-35(46)34-36(47-24-25-16-17-25)44-37(48-34)26-18-21-40-31(22-26)43-32(45)23-39-19-10-4-2-3-5-11-20-41-33-27-12-6-8-14-29(27)42-30-15-9-7-13-28(30)33/h6,8,12,14,18,21-22,25,39H,2-5,7,9-11,13,15-17,19-20,23-24H2,1H3,(H,38,46)(H,41,42)(H,40,43,45)
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| InChIKey |
OAPINTTTYXBPJU-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