General Information of the Compound
| Compound ID |
CP0273293
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| Compound Name |
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methylphenyl)ethan-1-ol
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| Structure |
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| Formula |
C27H29FN2O
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| Molecular Weight |
416.54
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| Canonical SMILES |
Cc1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C27H29FN2O/c1-18-6-8-19(9-7-18)14-26(31)24-5-3-4-21-15-25-20(16-27(21,24)2)17-29-30(25)23-12-10-22(28)11-13-23/h6-13,15,17,24,26,31H,3-5,14,16H2,1-2H3/t24-,26+,27+/m1/s1
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| InChIKey |
MYCFEQUEOWZARC-STXQHDJLSA-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