General Information of the Compound
| Compound ID |
CP0267416
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| Compound Name |
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methylphenyl)methanol
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| Structure |
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| Formula |
C26H26F2N2O
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| Molecular Weight |
420.503
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| Canonical SMILES |
Cc1cc(ccc1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26F2N2O/c1-16-12-17(6-11-23(16)28)25(31)22-5-3-4-19-13-24-18(14-26(19,22)2)15-29-30(24)21-9-7-20(27)8-10-21/h6-13,15,22,25,31H,3-5,14H2,1-2H3/t22-,25+,26+/m1/s1
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| InChIKey |
CQWCKQOYMCYQST-RZFJZAQRSA-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