General Information of the Compound
| Compound ID |
CP0935390
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| Compound Name |
(2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)-4-fluoropyrrolidine-2-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C19H23ClFNO2S2
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| Molecular Weight |
415.983
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| Canonical SMILES |
Cc1ccsc1C(=CCCN1C[C@@H](F)C[C@H]1C(=O)O)c1sccc1C.Cl
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| InChI |
InChI=1S/C19H22FNO2S2.ClH/c1-12-5-8-24-17(12)15(18-13(2)6-9-25-18)4-3-7-21-11-14(20)10-16(21)19(22)23;/h4-6,8-9,14,16H,3,7,10-11H2,1-2H3,(H,22,23);1H/t14-,16-;/m0./s1
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| InChIKey |
BVUFOBIIBOGNAF-DMLYUBSXSA-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