General Information of the Compound
| Compound ID |
CP0444609
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| Compound Name |
(1R)-1-(3,4-difluoro-5-methoxyphenyl)-1-[(5S)-1-(4-methylphenyl)-4,4a,5,6,7,8-hexahydrobenzo[f]indazol-5-yl]ethanol
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| Formula |
C27H28F2N2O2
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| Molecular Weight |
450.529
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| Canonical SMILES |
COc1cc(cc(F)c1F)[C@](C)(O)[C@H]1CCCC2=Cc3c(CC12)cnn3-c1ccc(C)cc1
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| InChI |
InChI=1S/C27H28F2N2O2/c1-16-7-9-20(10-8-16)31-24-12-17-5-4-6-22(21(17)11-18(24)15-30-31)27(2,32)19-13-23(28)26(29)25(14-19)33-3/h7-10,12-15,21-22,32H,4-6,11H2,1-3H3/t21?,22-,27-/m0/s1
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| InChIKey |
HHUWKZBMPIXQNI-PPYNKBHJSA-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