General Information of the Compound
| Compound ID |
CP0411234
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C26H23Cl2N3O3S
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| Molecular Weight |
528.461
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1cccs1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C26H23Cl2N3O3S/c1-15-24(19-12-20(27)14-21(28)13-19)30-31(25(15)22-4-3-11-35-22)16(2)17-5-7-18(8-6-17)26(34)29-10-9-23(32)33/h3-8,11-14,16H,9-10H2,1-2H3,(H,29,34)(H,32,33)
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| InChIKey |
FRVOREAUCPBGKJ-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