General Information of the Compound
| Compound ID |
CP0145111
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| Compound Name |
1-(but-1-en-2-yl)-2-(5-(2-ethylcyclopentyl)-2,3-dimethylenepentyl)-3,4-dimethylcyclopenta-1,3-diene
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| Structure |
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| Formula |
C17H25N3O4S
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| Molecular Weight |
367.471
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| Canonical SMILES |
CCN1CCCC1CNC(=O)C(=O)Nc1c(C)c(C)sc1C(=O)OC
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| InChI |
InChI=1S/C17H25N3O4S/c1-5-20-8-6-7-12(20)9-18-15(21)16(22)19-13-10(2)11(3)25-14(13)17(23)24-4/h12H,5-9H2,1-4H3,(H,18,21)(H,19,22)
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| InChIKey |
QPZUUYMBLIGCJC-UHFFFAOYSA-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