General Information of the Compound
| Compound ID |
CP0432838
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| Compound Name |
(2S,4R)-4-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C13H18ClNO2
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| Molecular Weight |
255.745
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| Canonical SMILES |
Cl.Cc1ccccc1C[C@H]1CN[C@@H](C1)C(O)=O
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| InChI |
InChI=1S/C13H17NO2.ClH/c1-9-4-2-3-5-11(9)6-10-7-12(13(15)16)14-8-10;/h2-5,10,12,14H,6-8H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1
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| InChIKey |
SAHJHZDLFHMZMC-IYJPBCIQSA-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