General Information of the Compound
| Compound ID |
CP0502671
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[4-(propoxymethyl)piperidin-1-yl]pyridin-2-yl}carbonyl)amino]pentanoic Acid
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| Structure |
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| Formula |
C36H51N5O7
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| Molecular Weight |
665.832
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(COCCC)CC1
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| InChI |
InChI=1S/C36H51N5O7/c1-3-5-9-23-48-36(46)41-20-18-40(19-21-41)35(45)30(12-13-33(42)43)38-34(44)32-25-29(24-31(37-32)28-10-7-6-8-11-28)39-16-14-27(15-17-39)26-47-22-4-2/h6-8,10-11,24-25,27,30H,3-5,9,12-23,26H2,1-2H3,(H,38,44)(H,42,43)/t30-/m0/s1
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| InChIKey |
KTNZQDFPUIULHZ-PMERELPUSA-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