General Information of the Compound
| Compound ID |
CP0432873
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| Compound Name |
[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(4-methylphenyl)methanol
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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 |
Cc1ccc(cc1)C(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H27FN2O/c1-17-6-8-18(9-7-17)25(30)23-5-3-4-20-14-24-19(15-26(20,23)2)16-28-29(24)22-12-10-21(27)11-13-22/h6-14,16,23,25,30H,3-5,15H2,1-2H3/t23-,25?,26+/m1/s1
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| InChIKey |
LFTDMBYAYYEBDL-XWYQMZBESA-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