General Information of the Compound
| Compound ID |
CP0219128
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[3-[1-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]triazol-4-yl]propoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C35H39N9O4S
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| Molecular Weight |
681.823
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCCc1cn(CCNc2c3CCCCc3nc3ccc(OC)cc23)nn1)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C35H39N9O4S/c1-36-33(46)31-34(41-35(49-31)22-13-14-37-29(18-22)40-32(45)21-9-10-21)48-17-5-6-23-20-44(43-42-23)16-15-38-30-25-7-3-4-8-27(25)39-28-12-11-24(47-2)19-26(28)30/h11-14,18-21H,3-10,15-17H2,1-2H3,(H,36,46)(H,38,39)(H,37,40,45)
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| InChIKey |
VEPADBWHHYYHHW-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