General Information of the Compound
| Compound ID |
CP0569777
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| Compound Name |
methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
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| Synonyms |
Aryl hydrocarbon receptor (AhR) agonist (cancer), AhR Pharmaceuticals
ITE
ITE (cancer)
ITE (cancer), AhR Pharmaceuticals
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| Structure |
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| Formula |
C14H10N2O3S
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| Molecular Weight |
286.312
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| Canonical SMILES |
COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
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| InChIKey |
KDDXOGDIPZSCTM-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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Clinical Information about the Compound