General Information of the Compound
| Compound ID |
CP0853620
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| Compound Name |
SID92763371
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| Structure |
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| Formula |
C22H24N2O8S
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| Molecular Weight |
476.507
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| Canonical SMILES |
COc1cc2cc(C(=O)N3CC(COS(C)(=O)=O)c4ccc(O)cc43)[nH]c2c(OC)c1OC
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| InChI |
InChI=1S/C22H24N2O8S/c1-29-18-8-12-7-16(23-19(12)21(31-3)20(18)30-2)22(26)24-10-13(11-32-33(4,27)28)15-6-5-14(25)9-17(15)24/h5-9,13,23,25H,10-11H2,1-4H3
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| InChIKey |
SXQWVORVQPQIJG-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3