General Information of the Compound
| Compound ID |
CP0522061
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| Compound Name |
(4S)-4-({[4-(3-Morpholin-4-yl-3-oxopropyl)-6-phenylpyridin-2-yl]carbonyl}amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C34H45N5O8
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| Molecular Weight |
651.761
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCC(=O)N2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H45N5O8/c1-2-3-7-20-47-34(45)39-16-14-38(15-17-39)33(44)27(11-13-31(41)42)36-32(43)29-24-25(10-12-30(40)37-18-21-46-22-19-37)23-28(35-29)26-8-5-4-6-9-26/h4-6,8-9,23-24,27H,2-3,7,10-22H2,1H3,(H,36,43)(H,41,42)/t27-/m0/s1
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| InChIKey |
KLMWLTBMVOSCAC-MHZLTWQESA-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