General Information of the Compound
| Compound ID |
CP0498545
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| Compound Name |
3aR,6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole
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| Structure |
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| Formula |
C13H17BrN2
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| Molecular Weight |
281.197
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| Canonical SMILES |
CN1C[C@H]2CCN([C@H]2C1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C13H17BrN2/c1-15-8-10-6-7-16(13(10)9-15)12-4-2-11(14)3-5-12/h2-5,10,13H,6-9H2,1H3/t10-,13+/m1/s1
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| InChIKey |
JQFMTRCQEFPEMJ-MFKMUULPSA-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