General Information of the Compound
| Compound ID |
CP0497468
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(propylamino)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C27H35N5O6
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| Molecular Weight |
525.606
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| Canonical SMILES |
CCCNc1cc(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/C27H35N5O6/c1-3-12-28-20-17-22(19-8-6-5-7-9-19)29-23(18-20)25(35)30-21(10-11-24(33)34)26(36)31-13-15-32(16-14-31)27(37)38-4-2/h5-9,17-18,21H,3-4,10-16H2,1-2H3,(H,28,29)(H,30,35)(H,33,34)/t21-/m0/s1
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| InChIKey |
QIBTUTJUGMWHDQ-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