General Information of the Compound
| Compound ID |
CP0189105
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| Compound Name |
(R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-4-phenylbutan-2-ol
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| Structure |
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| Formula |
C28H31FN2O
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| Molecular Weight |
430.567
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| Canonical SMILES |
C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/m0/s1
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| InChIKey |
ZRYRCGNOGWVLFU-RZDMPUFOSA-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