General Information of the Compound
| Compound ID |
CP0378790
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| Compound Name |
(R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinyloxy]-ethyl}-piperidine-3-carboxylic acid; hydrochloride
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| Structure |
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| Formula |
C20H25NO3S2
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| Molecular Weight |
391.558
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| Canonical SMILES |
Cc1ccsc1C(=COCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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| InChI |
InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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| InChIKey |
LDRYKGXVXNQQTQ-MRXNPFEDSA-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