General Information of the Compound
| Compound ID |
CP0474567
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| Compound Name |
[4-[[6-[4-[4-chloro-3-(trifluoromethyl)benzoyl]piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C32H25ClF3N5O6S
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| Molecular Weight |
700.095
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)
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| InChIKey |
FYNZNIRXAODRQU-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