General Information of the Compound
| Compound ID |
CP0549836
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| Compound Name |
(1S,2S)-2-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl-methylamino]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C21H27NO2S2
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| Molecular Weight |
389.586
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| Canonical SMILES |
CN(CCC=C(c1ccc(C)s1)c1ccc(C)s1)[C@H]1CCC[C@@H]1C(O)=O
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| InChI |
InChI=1S/C21H27NO2S2/c1-14-9-11-19(25-14)17(20-12-10-15(2)26-20)7-5-13-22(3)18-8-4-6-16(18)21(23)24/h7,9-12,16,18H,4-6,8,13H2,1-3H3,(H,23,24)/t16-,18-/m0/s1
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| InChIKey |
FKSUMLNBISKZLZ-WMZOPIPTSA-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