General Information of the Compound
| Compound ID |
CP0158685
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| Compound Name |
CHEBI:64215
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| Structure |
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| Formula |
C12H10O4
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| Molecular Weight |
218.208
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| Canonical SMILES |
COC1=C(OC)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C12H10O4/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3
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| InChIKey |
ZEGDFCCYTFPECB-UHFFFAOYSA-N
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| CAS |
6956-96-3
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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: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000001 | Jurkat | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 11500 nM
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TI
LI
LO
TS
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