General Information of the Compound
| Compound ID |
CP0397673
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| Compound Name |
phenyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carbodithioate
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| Structure |
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| Formula |
C25H25FN4O3S3
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| Molecular Weight |
544.699
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C(=S)Sc2ccccc2)c(F)c1
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| InChI |
InChI=1S/C25H25FN4O3S3/c1-36(31,32)19-7-8-22(21(26)15-19)30-14-11-20-23(30)27-16-28-24(20)33-17-9-12-29(13-10-17)25(34)35-18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3
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| InChIKey |
MYRKKFMBHGLXIA-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