General Information of the Compound
| Compound ID |
CP0847687
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| Compound Name |
SID49674104
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| Structure |
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| Formula |
C18H22F2N2OS
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| Molecular Weight |
352.45
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| Canonical SMILES |
FC(F)Oc1ccc(NC(S)=NC23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C18H22F2N2OS/c19-16(20)23-15-3-1-14(2-4-15)21-17(24)22-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,16H,5-10H2,(H2,21,22,24)
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| InChIKey |
RPTQNPTZALUCTC-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3