General Information of the Compound
| Compound ID |
CP0487278
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| Compound Name |
(1S,6R,7R)-3-[4,4-bis(5-methylthiophen-2-yl)but-3-enyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
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| Structure |
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| Formula |
C21H25NO2S2
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| Molecular Weight |
387.57
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| Canonical SMILES |
Cc1ccc(s1)C(=CCCN1CC[C@@H]2[C@H](C1)[C@@H]2C(O)=O)c1ccc(C)s1
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| InChI |
InChI=1S/C21H25NO2S2/c1-13-5-7-18(25-13)16(19-8-6-14(2)26-19)4-3-10-22-11-9-15-17(12-22)20(15)21(23)24/h4-8,15,17,20H,3,9-12H2,1-2H3,(H,23,24)/t15-,17+,20-/m1/s1
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| InChIKey |
BDQIVTXBTQPEAM-OXFYSEKESA-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