General Information of the Compound
| Compound ID |
CP0477289
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| Compound Name |
2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)-4-hydroxypyrrolidin-2-yl)acetic acid
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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(=CCCN1C[C@@H](O)C[C@H]1CC(O)=O)c1sccc1C
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| InChI |
InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
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| InChIKey |
LJBQPELFQMHCCO-HOTGVXAUSA-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