General Information of the Compound
| Compound ID |
CP0864850
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| Compound Name |
SID85268858
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| Structure |
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| Formula |
C24H21N3O9S
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| Molecular Weight |
527.511
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| Canonical SMILES |
COc1ccc(C2=NN(C(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C(c3ccco3)C2)cc1
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| InChI |
InChI=1S/C24H21N3O9S/c1-34-17-8-5-15(6-9-17)18-13-19(21-4-3-11-35-21)26(25-18)23(28)14-36-24(29)16-7-10-22(37(2,32)33)20(12-16)27(30)31/h3-12,19H,13-14H2,1-2H3
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| InChIKey |
JNJSSTSBURTINL-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: PT06172, Mothers against decapentaplegic homolog 3