General Information of the Compound
| Compound ID |
CP0229313
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| Compound Name |
MLS000580606
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| Structure |
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| Formula |
C21H21NO2S
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| Molecular Weight |
351.471
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| Canonical SMILES |
Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2CCc3cccc1c23
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| InChI |
InChI=1S/C21H21NO2S/c1-13-11-14(2)21(15(3)12-13)25(23,24)22-19-10-9-17-8-7-16-5-4-6-18(19)20(16)17/h4-6,9-12,22H,7-8H2,1-3H3
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| InChIKey |
IEWFLISZFADZRD-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