General Information of the Compound
| Compound ID |
CP0500648
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| Compound Name |
1-(1-(4-methoxyphenyl)-2-methylpropan-2-ylamino)-3-(3-methyl-4-(methylsulfonyl)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C22H31NO5S
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| Molecular Weight |
421.559
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| Canonical SMILES |
COc1ccc(CC(C)(C)NCC(O)COc2ccc(c(C)c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C22H31NO5S/c1-16-12-20(10-11-21(16)29(5,25)26)28-15-18(24)14-23-22(2,3)13-17-6-8-19(27-4)9-7-17/h6-12,18,23-24H,13-15H2,1-5H3
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| InChIKey |
RVYGRHWGIWNMNK-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