General Information of the Compound
| Compound ID |
CP0372815
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| Compound Name |
(S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-ethoxypropanoic acid
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| Structure |
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| Formula |
C31H29NO5S
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| Molecular Weight |
527.642
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C31H29NO5S/c1-3-35-28(31(33)34)19-24-13-14-27(25-16-18-38-29(24)25)36-17-15-26-20(2)37-30(32-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-14,16,18,28H,3,15,17,19H2,1-2H3,(H,33,34)/t28-/m0/s1
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| InChIKey |
NXMDZTVQMITUKX-NDEPHWFRSA-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