General Information of the Compound
| Compound ID |
CP0539268
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| Compound Name |
(2S)-1-benzyl-5-oxo-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
O=C(NCc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1
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| InChI |
InChI=1S/C25H25N3O3/c29-24-11-10-23(28(24)17-20-4-2-1-3-5-20)25(30)27-16-19-6-8-22(9-7-19)31-18-21-12-14-26-15-13-21/h1-9,12-15,23H,10-11,16-18H2,(H,27,30)/t23-/m0/s1
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| InChIKey |
PYFBHQZAHQNPMP-QHCPKHFHSA-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