General Information of the Compound
| Compound ID |
CP0534036
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| Compound Name |
(R)-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(4-fluorophenyl)methanol
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| Formula |
C26H27FN2O2
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| Molecular Weight |
418.512
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@H](O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H27FN2O2/c1-26-15-18-16-28-29(21-10-12-22(31-2)13-11-21)24(18)14-19(26)4-3-5-23(26)25(30)17-6-8-20(27)9-7-17/h6-14,16,23,25,30H,3-5,15H2,1-2H3/t23-,25+,26+/m1/s1
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| InChIKey |
WGXZEYPOFOTRPN-AFESJLNVSA-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