General Information of the Compound
| Compound ID |
CP0069725
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-N-[3-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C31H34N6O4S
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| Molecular Weight |
586.718
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2ccc(OC)cc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C31H34N6O4S/c1-40-20-10-11-24-22(17-20)26(21-6-3-4-7-23(21)35-24)33-13-5-14-34-29(39)27-30(41-2)37-31(42-27)19-12-15-32-25(16-19)36-28(38)18-8-9-18/h10-12,15-18H,3-9,13-14H2,1-2H3,(H,33,35)(H,34,39)(H,32,36,38)
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| InChIKey |
UWTPHLBHBPMCCU-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