General Information of the Compound
| Compound ID |
CP0682046
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| Compound Name |
SID24793277
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| Structure |
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| Formula |
C18H14FN5O3S
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| Molecular Weight |
399.407
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| Canonical SMILES |
COc1ccc(N2C(=O)CC(Sc3nnnn3-c3ccc(F)cc3)C2=O)cc1
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| InChI |
InChI=1S/C18H14FN5O3S/c1-27-14-8-6-12(7-9-14)23-16(25)10-15(17(23)26)28-18-20-21-22-24(18)13-4-2-11(19)3-5-13/h2-9,15H,10H2,1H3
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| InChIKey |
WISVSLCHFICAAB-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: PT06124, Paired box protein Pax-8