General Information of the Compound
| Compound ID |
CP0534825
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| Compound Name |
(S)-5-(4-(allyloxycarbonyl)piperazin-1-yl)-4-(4-(2-hydroxyethoxy)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H32N4O8
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| Molecular Weight |
540.573
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| Canonical SMILES |
OCCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC=C
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| InChI |
InChI=1S/C27H32N4O8/c1-2-15-39-27(37)31-12-10-30(11-13-31)26(36)21(8-9-24(33)34)29-25(35)23-18-20(38-16-14-32)17-22(28-23)19-6-4-3-5-7-19/h2-7,17-18,21,32H,1,8-16H2,(H,29,35)(H,33,34)/t21-/m0/s1
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| InChIKey |
GAVCCTCYBHZELT-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