General Information of the Compound
| Compound ID |
CP0552606
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| Compound Name |
(1'S,5S)-6',6'-dibenzyl-1-(4-fluorophenyl)spiro[4H-indazole-5,2'-cyclohexane]-1'-ol
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| Structure |
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| Formula |
C32H31FN2O
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| Molecular Weight |
478.611
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| Canonical SMILES |
O[C@H]1C(Cc2ccccc2)(Cc2ccccc2)CCC[C@@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H31FN2O/c33-27-12-14-28(15-13-27)35-29-16-19-31(22-26(29)23-34-35)17-7-18-32(30(31)36,20-24-8-3-1-4-9-24)21-25-10-5-2-6-11-25/h1-6,8-16,19,23,30,36H,7,17-18,20-22H2/t30-,31-/m1/s1
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| InChIKey |
RNFUQVUWPZLHNK-FIRIVFDPSA-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