General Information of the Compound
| Compound ID |
CP0530322
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| Compound Name |
N-[5-[(2S)-3-[[(1R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C26H31ClN2O6S
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| Molecular Weight |
535.062
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C26H31ClN2O6S/c1-34-25-11-7-19(15-26(25)35-2)22(13-17-4-8-20(27)9-5-17)28-16-21(30)12-18-6-10-24(31)23(14-18)29-36(3,32)33/h4-11,14-15,21-22,28-31H,12-13,16H2,1-3H3/t21-,22+/m0/s1
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| InChIKey |
PEGINHFZHPLROG-FCHUYYIVSA-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