General Information of the Compound
| Compound ID |
CP0336495
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| Compound Name |
MLS000677248
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| Structure |
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| Formula |
C22H24N2O4S
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| Molecular Weight |
412.511
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| Canonical SMILES |
COc1ccc(N(C(C(=O)NC2CCCC2)c2cccs2)C(=O)C#C)c(OC)c1
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| InChI |
InChI=1S/C22H24N2O4S/c1-4-20(25)24(17-12-11-16(27-2)14-18(17)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15/h1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26)
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| InChIKey |
IIZSMPAYISCGST-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8