General Information of the Compound
| Compound ID |
CP0386117
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| Compound Name |
2-methoxy-3-(4-(2-(2-(2-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid
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| Structure |
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| Formula |
C25H25NO6S
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| Molecular Weight |
467.543
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| Canonical SMILES |
COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2OC)c2ccsc12)C(O)=O
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| InChI |
InChI=1S/C25H25NO6S/c1-15-19(26-24(32-15)18-6-4-5-7-20(18)29-2)10-12-31-21-9-8-16(14-22(30-3)25(27)28)23-17(21)11-13-33-23/h4-9,11,13,22H,10,12,14H2,1-3H3,(H,27,28)
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| InChIKey |
FTOIHKCLBGVEEC-UHFFFAOYSA-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