General Information of the Compound
| Compound ID |
CP0897501
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| Compound Name |
SID103050603
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| Structure |
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| Formula |
C24H26N2O3S2
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| Molecular Weight |
454.617
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| Canonical SMILES |
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1
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| InChI |
InChI=1S/C24H26N2O3S2/c1-2-18-10-12-19(13-11-18)17-21-23(29)26(24(30)31-21)14-6-9-22(28)25(15-16-27)20-7-4-3-5-8-20/h3-5,7-8,10-13,17,27H,2,6,9,14-16H2,1H3/b21-17-
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| InChIKey |
AZUCUPGXGUBONN-FXBPSFAMSA-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: PT06124, Paired box protein Pax-8