General Information of the Compound
| Compound ID |
CP0298426
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| Compound Name |
MLS000722946
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| Structure |
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| Formula |
C21H17NO2S
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| Molecular Weight |
347.439
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| Canonical SMILES |
CC(=O)N(\C=C/C=C/C=C1\Sc2ccccc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C21H17NO2S/c1-16(23)22(17-10-4-2-5-11-17)15-9-3-6-14-20-21(24)18-12-7-8-13-19(18)25-20/h2-15H,1H3/b6-3+,15-9-,20-14-
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| InChIKey |
XNTRBVIDEXYJQL-QOPTXWDBSA-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: PT06033, Microphthalmia-associated transcription factor