General Information of the Compound
| Compound ID |
CP0403638
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| Compound Name |
N-[5-[2-(1-adamantylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H28N2O4S
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| Molecular Weight |
380.51
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H28N2O4S/c1-26(24,25)21-16-7-15(2-3-17(16)22)18(23)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,18,20-23H,4-6,8-11H2,1H3
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| InChIKey |
QRIYMRKDVRWWCY-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