General Information of the Compound
| Compound ID |
CP0516643
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| Compound Name |
(2S)-1-benzyl-5-oxo-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H27N5O3
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| Molecular Weight |
481.556
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| Canonical SMILES |
O=C(NCc1ccc(OCc2cn(nn2)-c2ccccc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1
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| InChI |
InChI=1S/C28H27N5O3/c34-27-16-15-26(32(27)18-22-7-3-1-4-8-22)28(35)29-17-21-11-13-25(14-12-21)36-20-23-19-33(31-30-23)24-9-5-2-6-10-24/h1-14,19,26H,15-18,20H2,(H,29,35)/t26-/m0/s1
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| InChIKey |
BPRYOAJAFDIWSF-SANMLTNESA-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