General Information of the Compound
| Compound ID |
CP0190504
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-4-[3-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]propoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C34H37N9O3S
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| Molecular Weight |
651.797
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCCc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C34H37N9O3S/c1-35-32(45)30-33(40-34(47-30)22-14-15-36-28(19-22)39-31(44)21-12-13-21)46-18-6-7-23-20-43(42-41-23)17-16-37-29-24-8-2-4-10-26(24)38-27-11-5-3-9-25(27)29/h2,4,8,10,14-15,19-21H,3,5-7,9,11-13,16-18H2,1H3,(H,35,45)(H,37,38)(H,36,39,44)
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| InChIKey |
ALRPJVIDEJKLDX-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