General Information of the Compound
| Compound ID |
CP0470073
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| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-((diethylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C36H52N6O6
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| Molecular Weight |
664.848
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(CC)CC)CC1
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| InChI |
InChI=1S/C36H52N6O6/c1-4-7-23-48-36(47)42-21-19-41(20-22-42)35(46)30(13-14-33(43)44)38-34(45)32-25-29(24-31(37-32)28-11-9-8-10-12-28)40-17-15-27(16-18-40)26-39(5-2)6-3/h8-12,24-25,27,30H,4-7,13-23,26H2,1-3H3,(H,38,45)(H,43,44)/t30-/m0/s1
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| InChIKey |
ZNKVMQXDVAIQCY-PMERELPUSA-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