General Information of the Compound
| Compound ID |
CP0284175
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| Compound Name |
(5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(thiophen-2-yl)-ethyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinoline
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| Structure |
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| Formula |
C25H27FN2OS
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| Molecular Weight |
422.569
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| Canonical SMILES |
CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1
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| InChI |
InChI=1S/C25H27FN2OS/c1-24-15-28-16-27-23(17-9-11-19(26)12-10-17)20(28)14-18(24)6-4-7-21(24)25(2,29-3)22-8-5-13-30-22/h5,8-14,16,21H,4,6-7,15H2,1-3H3/t21-,24-,25-/m0/s1
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| InChIKey |
DQSFCOKHCJUZSN-TUSQITKMSA-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