General Information of the Compound
| Compound ID |
CP0112295
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| Compound Name |
2-phenyl-N-(5-sulfamoyl-adamantan-2-yl)-isobutyramide
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| Formula |
C20H28N2O3S
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| Molecular Weight |
376.522
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| Canonical SMILES |
CC(C)(C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C20H28N2O3S/c1-19(2,16-6-4-3-5-7-16)18(23)22-17-14-8-13-9-15(17)12-20(10-13,11-14)26(21,24)25/h3-7,13-15,17H,8-12H2,1-2H3,(H,22,23)(H2,21,24,25)/t13?,14?,15?,17-,20-
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| InChIKey |
NNKZNDAYDMLMIA-UMTQXKRCSA-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