General Information of the Compound
| Compound ID |
CP0831458
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| Compound Name |
2-(1-hydroxy-4,5-dihydro-2H-benzo[e]indazol-2-yl)pyridine 1-oxide
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| Formula |
C16H13N3O2
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| Molecular Weight |
279.299
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| Canonical SMILES |
[O-][n+]1ccccc1-n1nc2c(c1O)-c1ccccc1CC2
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| InChI |
InChI=1S/C16H13N3O2/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)17-19(16)14-7-3-4-10-18(14)21/h1-7,10,20H,8-9H2
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| InChIKey |
YONKHGGSPJLWMP-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