General Information of the Compound
| Compound ID |
CP0534827
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| Compound Name |
(S)-5-Oxo-5-(4-propionyloxy-piperazin-1-yl)-4-[([1,1';3',1'']terphenyl-5'-carbonyl)-amino]-pentanoic acid
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| Structure |
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| Formula |
C31H33N3O6
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| Molecular Weight |
543.62
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| Canonical SMILES |
CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(c1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C31H33N3O6/c1-2-29(37)40-34-17-15-33(16-18-34)31(39)27(13-14-28(35)36)32-30(38)26-20-24(22-9-5-3-6-10-22)19-25(21-26)23-11-7-4-8-12-23/h3-12,19-21,27H,2,13-18H2,1H3,(H,32,38)(H,35,36)/t27-/m0/s1
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| InChIKey |
IXYFFDOQXAJJKS-MHZLTWQESA-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