General Information of the Compound
| Compound ID |
CP0417327
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| Compound Name |
[4-[[6-[4-(3-bromoadamantane-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 |
C35H36BrN5O6S
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| Molecular Weight |
734.673
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| Canonical SMILES |
BrC12CC3CC(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/C35H36BrN5O6S/c36-35-18-24-14-25(19-35)17-34(16-24,22-35)32(43)40-12-10-39(11-13-40)31-15-30(42)38-33(44)41(31)21-23-4-6-27(7-5-23)47-48(45,46)29-3-1-2-26-20-37-9-8-28(26)29/h1-9,15,20,24-25H,10-14,16-19,21-22H2,(H,38,42,44)
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| InChIKey |
ZAGMYFBTWQLHCE-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