General Information of the Compound
| Compound ID |
CP0537018
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| Compound Name |
4-(cyclopropylmethoxy)-N-methyl-2-[2-[[2-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C35H43N7O3S
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| Molecular Weight |
641.842
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C35H43N7O3S/c1-36-33(44)32-34(45-22-23-14-15-23)42-35(46-32)24-16-19-38-29(20-24)41-30(43)21-37-17-8-2-3-9-18-39-31-25-10-4-6-12-27(25)40-28-13-7-5-11-26(28)31/h4,6,10,12,16,19-20,23,37H,2-3,5,7-9,11,13-15,17-18,21-22H2,1H3,(H,36,44)(H,39,40)(H,38,41,43)
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| InChIKey |
XJSGAZQHWZKYFW-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