General Information of the Compound
| Compound ID |
CP0516270
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| Compound Name |
3-adamantan-1-yl-6-methoxy-1-oxo-1H-indene-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C23H26O4
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| Molecular Weight |
366.457
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(OC)cc2C1=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H26O4/c1-3-27-22(25)19-20(17-5-4-16(26-2)9-18(17)21(19)24)23-10-13-6-14(11-23)8-15(7-13)12-23/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3
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| InChIKey |
OEYXOKUIRFJMDG-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