General Information of the Compound
| Compound ID |
CP0884729
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| Compound Name |
SID26728484
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| Structure |
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| Formula |
C21H25N3O2S3
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| Molecular Weight |
447.651
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| Canonical SMILES |
Cc1nc(-c2ccc(S(=O)(=O)N3CCCN(CCc4ccccc4)CC3)s2)cs1
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| InChI |
InChI=1S/C21H25N3O2S3/c1-17-22-19(16-27-17)20-8-9-21(28-20)29(25,26)24-12-5-11-23(14-15-24)13-10-18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3
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| InChIKey |
BQIMYKATOPPPKE-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