General Information of the Compound
| Compound ID |
CP0301337
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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]methoxy]ethoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C32H32N8O4S
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| Molecular Weight |
624.727
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCOCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C32H32N8O4S/c1-33-30(42)28-31(37-32(45-28)20-12-13-34-26(16-20)36-29(41)19-10-11-19)44-15-14-43-18-21-17-40(39-38-21)27-22-6-2-4-8-24(22)35-25-9-5-3-7-23(25)27/h2,4,6,8,12-13,16-17,19H,3,5,7,9-11,14-15,18H2,1H3,(H,33,42)(H,34,36,41)
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| InChIKey |
NQJDLURKQPSDCR-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