General Information of the Compound
| Compound ID |
CP0455097
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
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| Structure |
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| Formula |
C21H27NO5
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| Molecular Weight |
373.449
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| Canonical SMILES |
COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC
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| InChI |
InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)
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| InChIKey |
WKJZKNFGZORWFP-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1