General Information of the Compound
| Compound ID |
CP0190507
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-4-[2-[1-(1,2,3,4-tetrahydroacridin-9-yl)triazol-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C31H30N8O3S
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| Molecular Weight |
594.701
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C31H30N8O3S/c1-32-29(41)27-30(36-31(43-27)19-12-14-33-25(16-19)35-28(40)18-10-11-18)42-15-13-20-17-39(38-37-20)26-21-6-2-4-8-23(21)34-24-9-5-3-7-22(24)26/h2,4,6,8,12,14,16-18H,3,5,7,9-11,13,15H2,1H3,(H,32,41)(H,33,35,40)
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| InChIKey |
GYRWNPFZHGOCEC-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