General Information of the Compound
| Compound ID |
CP0219125
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-[1-(1,2,3,4-tetrahydroacridin-9-yl)triazol-4-yl]ethoxy]-1,3-thiazole-5-carboxamide
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| Formula |
C30H28N8O3S
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| Molecular Weight |
580.674
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| Canonical SMILES |
NC(=O)c1sc(nc1OCCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C30H28N8O3S/c31-27(39)26-29(35-30(42-26)18-11-13-32-24(15-18)34-28(40)17-9-10-17)41-14-12-19-16-38(37-36-19)25-20-5-1-3-7-22(20)33-23-8-4-2-6-21(23)25/h1,3,5,7,11,13,15-17H,2,4,6,8-10,12,14H2,(H2,31,39)(H,32,34,40)
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| InChIKey |
ZLMGZYYGAKQJDG-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