General Information of the Compound
| Compound ID |
CP0372812
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| Compound Name |
(S)-2-ethoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-4-yl)propanoic acid
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| Structure |
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| Formula |
C25H25NO5S
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| Molecular Weight |
451.544
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2sccc12)C(O)=O
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| InChI |
InChI=1S/C25H25NO5S/c1-3-29-22(25(27)28)15-18-9-10-21(23-19(18)12-14-32-23)30-13-11-20-16(2)31-24(26-20)17-7-5-4-6-8-17/h4-10,12,14,22H,3,11,13,15H2,1-2H3,(H,27,28)/t22-/m0/s1
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| InChIKey |
VPJCAJLVMQCQIC-QFIPXVFZSA-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