General Information of the Compound
| Compound ID |
CP0810838
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| Compound Name |
SID22411045
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| Structure |
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| Formula |
C24H22ClF3N4O3S
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| Molecular Weight |
538.979
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| Canonical SMILES |
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
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| InChI |
InChI=1S/C24H22ClF3N4O3S/c25-19-8-1-2-9-20(19)31-36(34,35)22-15-18(10-11-21(22)32-12-3-4-13-32)30-23(33)29-17-7-5-6-16(14-17)24(26,27)28/h1-2,5-11,14-15,31H,3-4,12-13H2,(H2,29,30,33)
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| InChIKey |
UIJJCFJVEWLBBB-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8