General Information of the Compound
| Compound ID |
CP0419138
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| Compound Name |
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(3,4-difluoro-5-methoxyphenyl)ethanol
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| Formula |
C27H27F3N2O2
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| Molecular Weight |
468.519
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| Canonical SMILES |
COc1cc(cc(F)c1F)[C@@](C)(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27F3N2O2/c1-26-14-16-15-31-32(20-9-7-19(28)8-10-20)22(16)12-17(26)5-4-6-24(26)27(2,33)18-11-21(29)25(30)23(13-18)34-3/h7-13,15,24,33H,4-6,14H2,1-3H3/t24-,26-,27+/m0/s1
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| InChIKey |
XNMYFBXYVIUDKT-DOEKTCAHSA-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