General Information of the Compound
| Compound ID |
CP0886750
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| Compound Name |
SID164339367
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| Structure |
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| Formula |
C22H26N2O4S
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| Molecular Weight |
414.527
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| Canonical SMILES |
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C22H26N2O4S/c1-6-28-18-9-12-21-20(13-18)15(2)14-22(4,5)24(21)29(26,27)19-10-7-17(8-11-19)23-16(3)25/h7-14H,6H2,1-5H3,(H,23,25)
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| InChIKey |
QFNCGUSUHXCIDH-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8