General Information of the Compound
| Compound ID |
CP0372043
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| Compound Name |
(4S)-5-oxo-4-(4-(3-((2-oxopyrrolidin-1-yl)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C37H50N6O7
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| Molecular Weight |
690.842
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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=O)C1
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| InChI |
InChI=1S/C37H50N6O7/c1-2-3-7-22-50-37(49)41-20-18-40(19-21-41)36(48)30(14-15-34(45)46)39-35(47)32-24-29(23-31(38-32)28-11-5-4-6-12-28)42-16-8-10-27(25-42)26-43-17-9-13-33(43)44/h4-6,11-12,23-24,27,30H,2-3,7-10,13-22,25-26H2,1H3,(H,39,47)(H,45,46)/t27?,30-/m0/s1
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| InChIKey |
XEUZDTVZHSKSFV-MILIPEGGSA-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