General Information of the Compound
| Compound ID |
CP0439267
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(3-hydroxypropoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoic Acid
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| Structure |
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| Formula |
C27H34N4O8
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| Molecular Weight |
542.589
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCO)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H34N4O8/c1-2-38-27(37)31-13-11-30(12-14-31)26(36)21(9-10-24(33)34)29-25(35)23-18-20(39-16-6-15-32)17-22(28-23)19-7-4-3-5-8-19/h3-5,7-8,17-18,21,32H,2,6,9-16H2,1H3,(H,29,35)(H,33,34)/t21-/m0/s1
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| InChIKey |
QZQQJTOPRXDACA-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