General Information of the Compound
| Compound ID |
CP0579346
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| Compound Name |
6-butyl-4-hydroxy-5-(3-methoxy-N-methylanilino)-3-[(3R)-3-phenylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1cccc(OC)c1
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| InChI |
InChI=1S/C28H33N3O4/c1-4-5-14-23-25(30(2)21-12-9-13-22(17-21)35-3)26(32)24(27(33)29-23)28(34)31-16-15-20(18-31)19-10-7-6-8-11-19/h6-13,17,20H,4-5,14-16,18H2,1-3H3,(H2,29,32,33)/t20-/m0/s1
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| InChIKey |
ACDXWXZIFNCTKB-FQEVSTJZSA-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