General Information of the Compound
| Compound ID |
CP0045863
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| Compound Name |
4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid
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| Structure |
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| Formula |
C23H28O3
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| Molecular Weight |
352.474
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O
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| InChI |
InChI=1S/C23H28O3/c1-22(2)10-11-23(3,4)18-12-14(8-9-17(18)22)15-6-5-7-19-16(15)13-20(26-19)21(24)25/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,24,25)
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| InChIKey |
ORVWRLJXZZBPEJ-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