General Information of the Compound
| Compound ID |
CP0067225
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| Compound Name |
1-oxidanidyl-2-phenyl-indol-1-ium-3-one
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| Structure |
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| Formula |
C14H9NO2
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| Molecular Weight |
223.231
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| Canonical SMILES |
[O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H
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| InChIKey |
WXFLHMJSSLDOPA-UHFFFAOYSA-N
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| CAS |
1969-74-0
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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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000529 | LLTC | Mus musculus (Mouse) | 1 |
| 1 |
LC50 = 14000 nM
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| CL000979 | LLTC | Mus musculus (Mouse) | 1 |
| 1 |
LC50 = 14000 nM
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TI
LI
LO
TS
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