General Information of the Compound
| Compound ID |
CP0514879
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| Compound Name |
2-(4-(2-(4-acetylpiperazin-1-yl)pyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C29H26F2N4O3S
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| Molecular Weight |
548.615
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H26F2N4O3S/c1-18(36)34-12-14-35(15-13-34)25-16-21(10-11-32-25)28-24(17-26(37)38)39-29(33-28)27(19-2-6-22(30)7-3-19)20-4-8-23(31)9-5-20/h2-11,16,27H,12-15,17H2,1H3,(H,37,38)
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| InChIKey |
WEMDMVHBYVEMGI-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