General Information of the Compound
| Compound ID |
CP0385418
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| Compound Name |
[4-[[6-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C37H41N5O6S
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| Molecular Weight |
683.831
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| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C37H41N5O6S/c1-35-17-26-18-36(2,22-35)24-37(19-26,23-35)33(44)41-14-12-40(13-15-41)32-16-31(43)39-34(45)42(32)21-25-6-8-28(9-7-25)48-49(46,47)30-5-3-4-27-20-38-11-10-29(27)30/h3-11,16,20,26H,12-15,17-19,21-24H2,1-2H3,(H,39,43,45)
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| InChIKey |
MQYUZFOZFZGAQM-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