General Information of the Compound
| Compound ID |
CP0528420
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| Compound Name |
4-[4,4-dimethyl-5-oxo-3-(1-oxo-3,4-dihydroisochromen-6-yl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C22H16F3N3O3S
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| Molecular Weight |
459.449
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCCc2c1
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| InChI |
InChI=1S/C22H16F3N3O3S/c1-21(2)19(30)27(14-4-3-13(11-26)17(10-14)22(23,24)25)20(32)28(21)15-5-6-16-12(9-15)7-8-31-18(16)29/h3-6,9-10H,7-8H2,1-2H3
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| InChIKey |
WGMRQIOSQKATFM-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