General Information of the Compound
| Compound ID |
CP0429677
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| Compound Name |
3-[4-[[5-[2-(4-methoxyphenyl)-2-phenylethyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H25N3O4S
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| Molecular Weight |
487.581
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| Canonical SMILES |
COc1ccc(cc1)C(Cc1nnc(s1)C(=O)Nc1ccc(CCC(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H25N3O4S/c1-34-22-14-10-20(11-15-22)23(19-5-3-2-4-6-19)17-24-29-30-27(35-24)26(33)28-21-12-7-18(8-13-21)9-16-25(31)32/h2-8,10-15,23H,9,16-17H2,1H3,(H,28,33)(H,31,32)
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| InChIKey |
TXBFWPJPTBDMKM-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