General Information of the Compound
| Compound ID |
CP0554342
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| Compound Name |
6-butyl-5-(N-ethylanilino)-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CC[C@H](C2)c2ccccc2)c(O)c1N(CC)c1ccccc1
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| InChI |
InChI=1S/C28H33N3O3/c1-3-5-16-23-25(31(4-2)22-14-10-7-11-15-22)26(32)24(27(33)29-23)28(34)30-18-17-21(19-30)20-12-8-6-9-13-20/h6-15,21H,3-5,16-19H2,1-2H3,(H2,29,32,33)/t21-/m1/s1
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| InChIKey |
DCGXWTWURQHYGC-OAQYLSRUSA-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