General Information of the Compound
| Compound ID |
CP0466831
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| Compound Name |
3-methylbut-2-enyl 2-[2-(diethylamino)ethylsulfanyl]-2-phenylacetate
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| Structure |
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| Formula |
C19H29NO2S
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| Molecular Weight |
335.513
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| Canonical SMILES |
CCN(CC)CCSC(C(=O)OCC=C(C)C)c1ccccc1
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| InChI |
InChI=1S/C19H29NO2S/c1-5-20(6-2)13-15-23-18(17-10-8-7-9-11-17)19(21)22-14-12-16(3)4/h7-12,18H,5-6,13-15H2,1-4H3
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| InChIKey |
AFRNYKHUZYGINS-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