General Information of the Compound
| Compound ID |
CP0681219
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| Compound Name |
C10322355
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| Structure |
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| Formula |
C14H15N3O2S
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| Molecular Weight |
289.36
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| Canonical SMILES |
c1cc2c(cc1C1=NN=C(NC3CC3)SC1)OCCO2
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| InChI |
InChI=1S/C14H15N3O2S/c1-4-12-13(19-6-5-18-12)7-9(1)11-8-20-14(17-16-11)15-10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,15,17)
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| InChIKey |
PDXRTRJOMOJYDE-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