General Information of the Compound
| Compound ID |
CP0522034
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]oxy}pyridin-2-yl)carbonyl]-amino}pentanoic Acid
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| Structure |
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| Formula |
C33H40F3N5O8
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| Molecular Weight |
691.704
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H40F3N5O8/c1-2-3-19-48-32(47)41-17-15-39(16-18-41)30(45)25(9-10-28(42)43)38-29(44)27-21-24(20-26(37-27)22-7-5-4-6-8-22)49-23-11-13-40(14-12-23)31(46)33(34,35)36/h4-8,20-21,23,25H,2-3,9-19H2,1H3,(H,38,44)(H,42,43)/t25-/m0/s1
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| InChIKey |
XRMQMVROTXYMCV-VWLOTQADSA-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