General Information of the Compound
| Compound ID |
CP0427216
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| Compound Name |
(3aR,6aR)-1-(4'-Bromo-biphenyl-4-yl)-5-methyl-octahydropyrrolo[3,4-b]pyrrole
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| Structure |
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| Formula |
C19H21BrN2
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| Molecular Weight |
357.295
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| Canonical SMILES |
CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H21BrN2/c1-21-12-16-10-11-22(19(16)13-21)18-8-4-15(5-9-18)14-2-6-17(20)7-3-14/h2-9,16,19H,10-13H2,1H3/t16-,19+/m1/s1
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| InChIKey |
CORVHUIUUFFPND-APWZRJJASA-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