General Information of the Compound
| Compound ID |
CP0381971
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| Compound Name |
[4-[[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-2,5-dioxo-1-propylimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C35H32ClF3N4O6S
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| Molecular Weight |
729.177
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| Canonical SMILES |
CCCN1C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(CC2)C(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C35H32ClF3N4O6S/c1-2-16-42-33(45)30(19-22-6-9-26(10-7-22)49-50(47,48)31-5-3-4-24-21-40-15-12-27(24)31)43(34(42)46)25-13-17-41(18-14-25)32(44)23-8-11-29(36)28(20-23)35(37,38)39/h3-12,15,20-21,25,30H,2,13-14,16-19H2,1H3
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| InChIKey |
LBJIJEJWKZPOCT-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