General Information of the Compound
| Compound ID |
CP0215797
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| Compound Name |
(1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2,2-dimethylpropan-1-ol
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| Structure |
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| Formula |
C23H29FN2O
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| Molecular Weight |
368.496
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| Canonical SMILES |
CC(C)(C)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H29FN2O/c1-22(2,3)21(27)19-7-5-6-16-12-20-15(13-23(16,19)4)14-25-26(20)18-10-8-17(24)9-11-18/h8-12,14,19,21,27H,5-7,13H2,1-4H3/t19-,21-,23+/m1/s1
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| InChIKey |
XAMZHALVIXXTIZ-LSWJPFSZSA-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