General Information of the Compound
| Compound ID |
CP0762329
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| Compound Name |
1-hydroxy-2-(pyridin-2-yl)-4,5-dihydro-2H-benzo[e]indazole-7-carbonitrile
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| Formula |
C17H12N4O
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| Molecular Weight |
288.31
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| Canonical SMILES |
N#Cc1ccc2c(c1)CCc1nn(-c3ccccn3)c(O)c1-2
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| InChI |
InChI=1S/C17H12N4O/c18-10-11-4-6-13-12(9-11)5-7-14-16(13)17(22)21(20-14)15-3-1-2-8-19-15/h1-4,6,8-9,22H,5,7H2
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| InChIKey |
RGCLIIWMMJMREG-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