General Information of the Compound
| Compound ID |
CP0432837
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| Compound Name |
(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C12H14Cl3NO2
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| Molecular Weight |
310.608
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| Canonical SMILES |
Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1
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| InChI |
InChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1
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| InChIKey |
DODAZHGHYBWICW-YERNIVPCSA-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