General Information of the Compound
| Compound ID |
CP0395730
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| Compound Name |
1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-yl]-3-(3-trifluoromethyl-phenyl)-urea
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| Structure |
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| Formula |
C14H15F3N4OS2
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| Molecular Weight |
376.429
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| Canonical SMILES |
CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1
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| InChI |
InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)
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| InChIKey |
RBJCEGNCJRXDCS-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8