General Information of the Compound
| Compound ID |
CP0378991
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| Compound Name |
(4R)-2-(3-((4-chloro-2-isopropyl-6-methylphenoxy)methyl)-4-methoxyphenyl)thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C22H26ClNO4S
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| Molecular Weight |
435.973
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| Canonical SMILES |
COc1ccc(cc1COc1c(C)cc(Cl)cc1C(C)C)C1N[C@@H](CS1)C(O)=O
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| InChI |
InChI=1S/C22H26ClNO4S/c1-12(2)17-9-16(23)7-13(3)20(17)28-10-15-8-14(5-6-19(15)27-4)21-24-18(11-29-21)22(25)26/h5-9,12,18,21,24H,10-11H2,1-4H3,(H,25,26)/t18-,21?/m0/s1
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| InChIKey |
YNLQBLLKNVJCCJ-YMXDCFFPSA-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