General Information of the Compound
| Compound ID |
CP0520478
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-5-oxo-4-{[(6-phenyl-4-propoxypyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C27H34N4O7
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| Molecular Weight |
526.59
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| Canonical SMILES |
CCCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C27H34N4O7/c1-3-16-38-20-17-22(19-8-6-5-7-9-19)28-23(18-20)25(34)29-21(10-11-24(32)33)26(35)30-12-14-31(15-13-30)27(36)37-4-2/h5-9,17-18,21H,3-4,10-16H2,1-2H3,(H,29,34)(H,32,33)/t21-/m0/s1
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| InChIKey |
PUPSDODQAPCXQJ-NRFANRHFSA-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