General Information of the Compound
| Compound ID |
CP0545669
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| Compound Name |
6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H32FN3O3
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| Molecular Weight |
477.58
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CCC(C2)c2ccccc2F)c(O)c1N(CC)c1ccccc1
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| InChI |
InChI=1S/C28H32FN3O3/c1-3-5-15-23-25(32(4-2)20-11-7-6-8-12-20)26(33)24(27(34)30-23)28(35)31-17-16-19(18-31)21-13-9-10-14-22(21)29/h6-14,19H,3-5,15-18H2,1-2H3,(H2,30,33,34)
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| InChIKey |
DTHXBGKOCBEBDD-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