General Information of the Compound
| Compound ID |
CP0502929
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| Compound Name |
N-[2-hydroxy-5-[1-hydroxy-2-[(7-hydroxy-1-phenylheptan-2-yl)amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C22H32N2O5S
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| Molecular Weight |
436.574
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(CCCCCO)Cc1ccccc1
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| InChI |
InChI=1S/C22H32N2O5S/c1-30(28,29)24-20-15-18(11-12-21(20)26)22(27)16-23-19(10-6-3-7-13-25)14-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,15,19,22-27H,3,6-7,10,13-14,16H2,1H3
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| InChIKey |
JUHZUCWXDYDXTC-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