General Information of the Compound
| Compound ID |
CP0866894
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| Compound Name |
(R)-6-(3-methoxybenzyloxy)-4-((S)-5-oxopyrrolidine-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)[C@@H]3CNC(=O)C3)C2)c1
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| InChI |
InChI=1S/C26H31N3O5/c1-33-22-9-5-8-20(12-22)18-34-23-15-28(11-10-19-6-3-2-4-7-19)25(31)17-29(16-23)26(32)21-13-24(30)27-14-21/h2-9,12,21,23H,10-11,13-18H2,1H3,(H,27,30)/t21-,23-/m0/s1
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| InChIKey |
BYTOHTNAUOWHKP-GMAHTHKFSA-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