General Information of the Compound
| Compound ID |
CP0361730
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| Compound Name |
4-[2-[1-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]triazol-4-yl]ethoxy]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C33H34ClN9O3S
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| Molecular Weight |
672.215
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCc1cn(CCNc2c3CCCCc3nc3cc(Cl)ccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C33H34ClN9O3S/c1-35-31(45)29-32(40-33(47-29)20-10-12-36-27(16-20)39-30(44)19-6-7-19)46-15-11-22-18-43(42-41-22)14-13-37-28-23-4-2-3-5-25(23)38-26-17-21(34)8-9-24(26)28/h8-10,12,16-19H,2-7,11,13-15H2,1H3,(H,35,45)(H,37,38)(H,36,39,44)
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| InChIKey |
YMBIMUZYHSNFFG-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