General Information of the Compound
| Compound ID |
CP0831459
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| Compound Name |
7-(4-methoxyphenyl)-2-(pyridin-2-yl)-4,5-dihydro-2H-benzo[e]indazol-1-ol
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| Formula |
C23H19N3O2
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| Molecular Weight |
369.424
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| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1
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| InChI |
InChI=1S/C23H19N3O2/c1-28-18-9-5-15(6-10-18)16-7-11-19-17(14-16)8-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-7,9-11,13-14,27H,8,12H2,1H3
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| InChIKey |
NMYBSUDPSPTCKW-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