General Information of the Compound
| Compound ID |
CP0426760
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| Compound Name |
(1'S,5S,6'R)-6'-benzyl-1-(4-fluorophenyl)spiro[4H-indazole-5,2'-cyclohexane]-1'-ol
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| Structure |
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| Formula |
C25H25FN2O
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| Molecular Weight |
388.486
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2ccccc2)CCC[C@@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H25FN2O/c26-21-8-10-22(11-9-21)28-23-12-14-25(16-20(23)17-27-28)13-4-7-19(24(25)29)15-18-5-2-1-3-6-18/h1-3,5-6,8-12,14,17,19,24,29H,4,7,13,15-16H2/t19-,24+,25-/m1/s1
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| InChIKey |
UZGZLEZWLBZYOI-BTZRARBUSA-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