General Information of the Compound
| Compound ID |
CP0383988
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| Compound Name |
(4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H36N4O6/c1-2-3-4-8-20-38-28(37)32-18-16-31(17-19-32)27(36)24(14-15-25(33)34)30-26(35)23-13-9-12-22(29-23)21-10-6-5-7-11-21/h5-7,9-13,24H,2-4,8,14-20H2,1H3,(H,30,35)(H,33,34)/t24-/m0/s1
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| InChIKey |
NQEFFJFZHJLVBP-DEOSSOPVSA-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