General Information of the Compound
| Compound ID |
CP0219127
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-methyl-4-[2-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C33H35N9O3S
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| Molecular Weight |
637.77
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C33H35N9O3S/c1-34-31(44)29-32(39-33(46-29)21-12-14-35-27(18-21)38-30(43)20-10-11-20)45-17-13-22-19-42(41-40-22)16-15-36-28-23-6-2-4-8-25(23)37-26-9-5-3-7-24(26)28/h2,4,6,8,12,14,18-20H,3,5,7,9-11,13,15-17H2,1H3,(H,34,44)(H,36,37)(H,35,38,43)
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| InChIKey |
RHAOFYGYWYBRSI-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