General Information of the Compound
| Compound ID |
CP0519066
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-5-oxo-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]methoxy}pyridin-2-yl)carbonyl]-amino}pentanoic Acid
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| Structure |
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| Formula |
C34H42F3N5O8
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| Molecular Weight |
705.731
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H42F3N5O8/c1-2-3-19-49-33(48)42-17-15-40(16-18-42)31(46)26(9-10-29(43)44)39-30(45)28-21-25(20-27(38-28)24-7-5-4-6-8-24)50-22-23-11-13-41(14-12-23)32(47)34(35,36)37/h4-8,20-21,23,26H,2-3,9-19,22H2,1H3,(H,39,45)(H,43,44)/t26-/m0/s1
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| InChIKey |
LVAUCBGHSJHZGJ-SANMLTNESA-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