General Information of the Compound
| Compound ID |
CP0408003
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| Compound Name |
MLS000056567
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| Structure |
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| Formula |
C19H19N7O2S2
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| Molecular Weight |
441.542
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| Canonical SMILES |
COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC
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| InChI |
InChI=1S/C19H19N7O2S2/c1-27-15-9-8-13(12-16(15)28-2)10-11-20-17-21-23-19(29-17)30-18-22-24-25-26(18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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| InChIKey |
XYIXYHAKSFPGJW-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