General Information of the Compound
| Compound ID |
CP0523998
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| Compound Name |
(4S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(3-(pyrrolidin-1-ylmethyl)piperidin-1-yl)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C37H52N6O6
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| Molecular Weight |
676.859
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(CN2CCCC2)C1
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| InChI |
InChI=1S/C37H52N6O6/c1-2-3-9-23-49-37(48)42-21-19-41(20-22-42)36(47)31(14-15-34(44)45)39-35(46)33-25-30(24-32(38-33)29-12-5-4-6-13-29)43-18-10-11-28(27-43)26-40-16-7-8-17-40/h4-6,12-13,24-25,28,31H,2-3,7-11,14-23,26-27H2,1H3,(H,39,46)(H,44,45)/t28?,31-/m0/s1
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| InChIKey |
OFSAUXMIQFERJS-JFINJBMXSA-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