General Information of the Compound
| Compound ID |
CP0384422
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| Compound Name |
3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
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| Structure |
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| Formula |
C16H12N4O
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| Molecular Weight |
276.299
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| Canonical SMILES |
Oc1cccc(c1)-c1nnc2ccc(cn12)-c1ccc[nH]1
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| InChI |
InChI=1S/C16H12N4O/c21-13-4-1-3-11(9-13)16-19-18-15-7-6-12(10-20(15)16)14-5-2-8-17-14/h1-10,17,21H
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| InChIKey |
UMCZGNUDKMWYIY-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