General Information of the Compound
| Compound ID |
CP0231158
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethoxy]-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H27N5O4S
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| Molecular Weight |
529.622
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| Canonical SMILES |
OC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C28H27N5O4S/c34-25(16-9-10-16)32-22-15-17(11-12-29-22)27-33-26(24(38-27)28(35)36)37-14-13-30-23-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)23/h1,3,5,7,11-12,15-16H,2,4,6,8-10,13-14H2,(H,30,31)(H,35,36)(H,29,32,34)
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| InChIKey |
GFBYPYUSXALYJS-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