General Information of the Compound
| Compound ID |
CP0567144
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| Compound Name |
(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C12H15ClFNO2
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| Molecular Weight |
259.708
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| Canonical SMILES |
Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1
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| InChI |
InChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
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| InChIKey |
HKTWPCCWOYHOCB-NINOIYOQSA-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