General Information of the Compound
| Compound ID |
CP0215321
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| Compound Name |
(S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C21H25ClO4
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| Molecular Weight |
376.88
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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| InChIKey |
SBEKBLIYTASPMP-NRFANRHFSA-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