General Information of the Compound
| Compound ID |
CP0558532
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| Compound Name |
(1S,3S)-3-[6-[4-[(benzylsulfonylamino)methyl]-3-methyl-1,2-oxazol-5-yl]-2-methylpyridin-3-yl]oxycyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C25H29N3O6S
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| Molecular Weight |
499.589
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| Canonical SMILES |
Cc1noc(c1CNS(=O)(=O)Cc1ccccc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1
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| InChI |
InChI=1S/C25H29N3O6S/c1-16-21(14-26-35(31,32)15-18-7-4-3-5-8-18)24(34-28-16)22-11-12-23(17(2)27-22)33-20-10-6-9-19(13-20)25(29)30/h3-5,7-8,11-12,19-20,26H,6,9-10,13-15H2,1-2H3,(H,29,30)/t19-,20-/m0/s1
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| InChIKey |
GQRZKZMCUXEIQI-PMACEKPBSA-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