General Information of the Compound
| Compound ID |
CP0571452
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| Compound Name |
(1'S,5R)-1'-benzyl-1-(4-fluorophenyl)spiro[4H-indazole-5,2'-cycloheptane]-1'-ol
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| Structure |
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| Formula |
C26H27FN2O
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| Molecular Weight |
402.513
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| Canonical SMILES |
O[C@]1(Cc2ccccc2)CCCCC[C@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H27FN2O/c27-22-9-11-23(12-10-22)29-24-13-16-25(18-21(24)19-28-29)14-5-2-6-15-26(25,30)17-20-7-3-1-4-8-20/h1,3-4,7-13,16,19,30H,2,5-6,14-15,17-18H2/t25-,26-/m0/s1
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| InChIKey |
APXZPYAXPCKNLS-UIOOFZCWSA-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