General Information of the Compound
| Compound ID |
CP0273261
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| Compound Name |
2-morpholin-4-yl-1-phenyl-2-sulfanylideneethanone
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| Structure |
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| Formula |
C12H13NO2S
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| Molecular Weight |
235.308
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| Canonical SMILES |
O=C(C(=S)N1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C12H13NO2S/c14-11(10-4-2-1-3-5-10)12(16)13-6-8-15-9-7-13/h1-5H,6-9H2
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| InChIKey |
OZDNVEFIVHLBGQ-UHFFFAOYSA-N
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| CAS |
5509-99-9
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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: PT04442, D-3-phosphoglycerate dehydrogenase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000111 | MDA-MB-231 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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