General Information of the Compound
| Compound ID |
CP0150643
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| Compound Name |
Acetic acid 5-bromo-4-methoxy-2-(5,5,7-trimethyl-spiro[2.5]oct-7-en-4-ylmethyl)-phenyl ester
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| Structure |
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| Formula |
C21H27BrO3
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| Molecular Weight |
407.348
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| Canonical SMILES |
COc1cc(CC2C3(CC3)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br
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| InChI |
InChI=1S/C21H27BrO3/c1-13-11-20(3,4)19(21(12-13)6-7-21)9-15-8-18(24-5)16(22)10-17(15)25-14(2)23/h8,10,12,19H,6-7,9,11H2,1-5H3
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| InChIKey |
PMLKFXMDGNDNEI-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