General Information of the Compound
| Compound ID |
CP0884607
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| Compound Name |
SID22410579
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| Structure |
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| Formula |
C24H25ClFN3O6S2
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| Molecular Weight |
570.064
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| Canonical SMILES |
Cl.O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24FN3O6S2.ClH/c25-17-8-10-18(11-9-17)35(31,32)27-21-7-3-2-6-20(21)24(30)26-22-16-19(12-13-23(22)29)36(33,34)28-14-4-1-5-15-28;/h2-3,6-13,16,27,29H,1,4-5,14-15H2,(H,26,30);1H
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| InChIKey |
MUTVDBWBBMANIU-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