General Information of the Compound
| Compound ID |
CP0088590
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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-methoxyphenyl)methanol
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| Structure |
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| Formula |
C26H26F2N2O2
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| Molecular Weight |
436.502
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| Canonical SMILES |
COc1cc(ccc1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26F2N2O2/c1-26-14-17-15-29-30(20-9-7-19(27)8-10-20)23(17)13-18(26)4-3-5-21(26)25(31)16-6-11-22(28)24(12-16)32-2/h6-13,15,21,25,31H,3-5,14H2,1-2H3/t21-,25+,26+/m1/s1
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| InChIKey |
HZLBUICASOGMHC-NYMACZPPSA-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