General Information of the Compound
| Compound ID |
CP0473493
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-5-oxo-4-[(pyridin-2-ylcarbonyl)mino]pentanoic Acid
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| Structure |
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| Formula |
C18H24N4O6
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| Molecular Weight |
392.412
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccccn1
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| InChI |
InChI=1S/C18H24N4O6/c1-2-28-18(27)22-11-9-21(10-12-22)17(26)14(6-7-15(23)24)20-16(25)13-5-3-4-8-19-13/h3-5,8,14H,2,6-7,9-12H2,1H3,(H,20,25)(H,23,24)/t14-/m0/s1
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| InChIKey |
NXVQZEHIQWRDFL-AWEZNQCLSA-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