General Information of the Compound
| Compound ID |
CP0699276
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| Compound Name |
SID17515351
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)c1
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| InChI |
InChI=1S/C20H21N3O3S/c1-14-3-4-15(2)17(11-14)13-27-20-21-9-10-22(20)19(24)12-16-5-7-18(8-6-16)23(25)26/h3-8,11H,9-10,12-13H2,1-2H3
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| InChIKey |
LZRBIPOIMOYIFN-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: PT06124, Paired box protein Pax-8