General Information of the Compound
| Compound ID |
CP0398177
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| Compound Name |
(1R,2S)-2-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C22H29NO2S2
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| Molecular Weight |
403.613
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| Canonical SMILES |
CN(CCC=C(c1sccc1C)c1sccc1C)[C@H]1CCCC[C@H]1C(O)=O
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| InChI |
InChI=1S/C22H29NO2S2/c1-15-10-13-26-20(15)18(21-16(2)11-14-27-21)8-6-12-23(3)19-9-5-4-7-17(19)22(24)25/h8,10-11,13-14,17,19H,4-7,9,12H2,1-3H3,(H,24,25)/t17-,19+/m1/s1
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| InChIKey |
WVEAQTILSGURKS-MJGOQNOKSA-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