General Information of the Compound
| Compound ID |
CP0161504
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| Compound Name |
Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-methylene-cyclohex-3-enylmethyl)-4-methoxy-phenyl ester
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| Structure |
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| Formula |
C19H23BrO3
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| Molecular Weight |
379.294
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| Canonical SMILES |
COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br
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| InChI |
InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1
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| InChIKey |
IDYFIJMAKRNLNH-CZUORRHYSA-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