General Information of the Compound
| Compound ID |
CP0440955
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| Compound Name |
(2S)-2-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidine
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| Synonyms |
(S)-1-(4-nitrophenethyl)-2-methylpyrrolidine
CHEMBL257235
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| Structure |
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| Formula |
C13H18N2O2
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| Molecular Weight |
234.299
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| Canonical SMILES |
C[C@H]1CCCN1CCc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H18N2O2/c1-11-3-2-9-14(11)10-8-12-4-6-13(7-5-12)15(16)17/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
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| InChIKey |
PFZYNGPCNCRLFU-NSHDSACASA-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
Clinical Information about the Compound