General Information of the Compound
| Compound ID |
CP0887211
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| Compound Name |
SID56324375
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| Structure |
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| Formula |
C12H9FN2O3S
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| Molecular Weight |
280.28
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| Canonical SMILES |
O=C(Nc1nc2ccc(F)cc2s1)C1=COCCO1
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| InChI |
InChI=1S/C12H9FN2O3S/c13-7-1-2-8-10(5-7)19-12(14-8)15-11(16)9-6-17-3-4-18-9/h1-2,5-6H,3-4H2,(H,14,15,16)
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| InChIKey |
GGVYUJGDIFUCFR-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: PT06101, Latent membrane protein 1