General Information of the Compound
| Compound ID |
CP0494740
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| Compound Name |
N-[5-[2-[[1-(3,4-dimethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
Cc1ccc(cc1C)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H30N2O4S/c1-17-9-10-20(13-18(17)2)22(14-19-7-5-4-6-8-19)26-16-25(29)21-11-12-24(28)23(15-21)27-32(3,30)31/h4-13,15,22,25-29H,14,16H2,1-3H3
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| InChIKey |
CGQZKFYVAINFRN-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