General Information of the Compound
| Compound ID |
CP0507731
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| Compound Name |
(S)-4-(4-(3-morpholinoazetidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H46N6O7
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| Molecular Weight |
650.777
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)N1CCOCC1
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| InChI |
InChI=1S/C34H46N6O7/c1-2-3-7-18-47-34(45)39-14-12-38(13-15-39)33(44)28(10-11-31(41)42)36-32(43)30-22-26(21-29(35-30)25-8-5-4-6-9-25)40-23-27(24-40)37-16-19-46-20-17-37/h4-6,8-9,21-22,27-28H,2-3,7,10-20,23-24H2,1H3,(H,36,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
SAHWNZLCCJXNFR-NDEPHWFRSA-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