General Information of the Compound
| Compound ID |
CP0463997
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| Compound Name |
(S)-4-(4-(3-((methylamino)methyl)azetidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H44N6O6
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| Molecular Weight |
608.74
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(CNC)C1
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| InChI |
InChI=1S/C32H44N6O6/c1-3-4-8-17-44-32(43)37-15-13-36(14-16-37)31(42)26(11-12-29(39)40)35-30(41)28-19-25(38-21-23(22-38)20-33-2)18-27(34-28)24-9-6-5-7-10-24/h5-7,9-10,18-19,23,26,33H,3-4,8,11-17,20-22H2,1-2H3,(H,35,41)(H,39,40)/t26-/m0/s1
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| InChIKey |
QDHDKGDIAHGFIS-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