General Information of the Compound
| Compound ID |
CP0523116
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| Compound Name |
(S)-1-(2-methyl-1-phenylpropan-2-ylamino)-3-(2-(methylsulfonyl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C20H27NO4S
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| Molecular Weight |
377.506
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| Canonical SMILES |
CC(C)(Cc1ccccc1)NC[C@H](O)COc1ccccc1S(C)(=O)=O
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| InChI |
InChI=1S/C20H27NO4S/c1-20(2,13-16-9-5-4-6-10-16)21-14-17(22)15-25-18-11-7-8-12-19(18)26(3,23)24/h4-12,17,21-22H,13-15H2,1-3H3/t17-/m0/s1
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| InChIKey |
BDLZLBCJXJHQCP-KRWDZBQOSA-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