General Information of the Compound
| Compound ID |
CP0439244
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| Compound Name |
(S)-4-(4-(4-((2-methoxyethoxy)methyl)piperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H50N6O8
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| Molecular Weight |
682.819
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(COCCOC)CC1
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| InChI |
InChI=1S/C35H50N6O8/c1-3-4-8-21-49-35(46)41-19-17-40(18-20-41)34(45)28(11-12-31(42)43)37-33(44)32-36-29(27-9-6-5-7-10-27)24-30(38-32)39-15-13-26(14-16-39)25-48-23-22-47-2/h5-7,9-10,24,26,28H,3-4,8,11-23,25H2,1-2H3,(H,37,44)(H,42,43)/t28-/m0/s1
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| InChIKey |
PDUXHNSKSWROOZ-NDEPHWFRSA-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