General Information of the Compound
| Compound ID |
CP0421486
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| Compound Name |
N-[5-[(1R)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H26F4N2O6S
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| Molecular Weight |
558.55
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C25H26F4N2O6S/c1-38(34,35)31-19-12-17(7-9-20(19)32)21(33)14-30-18(11-15-5-3-2-4-6-15)16-8-10-22(36-24(26)27)23(13-16)37-25(28)29/h2-10,12-13,18,21,24-25,30-33H,11,14H2,1H3/t18-,21+/m1/s1
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| InChIKey |
NVKUPBXRSFXDMN-NQIIRXRSSA-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