General Information of the Compound
| Compound ID |
CP0905513
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| Compound Name |
(2S,4S)-1-(4,4-Diphenyl-but-3-enyl)-4-fluoro-pyrrolidine-2-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C21H23ClFNO2
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| Molecular Weight |
375.871
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| Canonical SMILES |
Cl.O=C(O)[C@@H]1C[C@H](F)CN1CCC=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H22FNO2.ClH/c22-18-14-20(21(24)25)23(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-12,18,20H,7,13-15H2,(H,24,25);1H/t18-,20-;/m0./s1
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| InChIKey |
PYNVAQCIVBRKTO-MKSBGGEFSA-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