General Information of the Compound
| Compound ID |
CP0507705
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C35H48N6O6
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| Molecular Weight |
648.805
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C35H48N6O6/c1-2-3-23-47-35(46)41-21-19-40(20-22-41)34(45)29(11-12-32(42)43)37-33(44)31-25-28(24-30(36-31)26-9-5-4-6-10-26)39-17-13-27(14-18-39)38-15-7-8-16-38/h4-6,9-10,24-25,27,29H,2-3,7-8,11-23H2,1H3,(H,37,44)(H,42,43)/t29-/m0/s1
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| InChIKey |
DVBHMUHPJYRYFE-LJAQVGFWSA-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