General Information of the Compound
| Compound ID |
CP0488096
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| Compound Name |
3-(1-adamantyl)-9-methoxy-6,6-dimethylbenzo[c]chromen-1-ol
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| Structure |
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| Formula |
C26H30O3
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| Molecular Weight |
390.523
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| Canonical SMILES |
COc1ccc2c(c1)-c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C26H30O3/c1-25(2)21-5-4-19(28-3)11-20(21)24-22(27)9-18(10-23(24)29-25)26-12-15-6-16(13-26)8-17(7-15)14-26/h4-5,9-11,15-17,27H,6-8,12-14H2,1-3H3
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| InChIKey |
XLGXOMHVMVESFV-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