General Information of the Compound
| Compound ID |
CP0874958
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| Compound Name |
SID24799044
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| Structure |
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| Formula |
C22H27NO3S
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| Molecular Weight |
385.529
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| Canonical SMILES |
COc1ccc(OC)c(CN2CCCC(C(=O)c3ccccc3SC)C2)c1
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| InChI |
InChI=1S/C22H27NO3S/c1-25-18-10-11-20(26-2)17(13-18)15-23-12-6-7-16(14-23)22(24)19-8-4-5-9-21(19)27-3/h4-5,8-11,13,16H,6-7,12,14-15H2,1-3H3
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| InChIKey |
URQARMKEOXBUIM-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