General Information of the Compound
| Compound ID |
CP0409422
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| Compound Name |
(2S,4R)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C13H15ClF3NO2
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| Molecular Weight |
309.715
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| Canonical SMILES |
Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CN1
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| InChI |
InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-2-8(5-10)4-9-6-11(12(18)19)17-7-9;/h1-3,5,9,11,17H,4,6-7H2,(H,18,19);1H/t9-,11+;/m1./s1
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| InChIKey |
POALZTWRXIMVHI-XQKZEKTMSA-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