General Information of the Compound
| Compound ID |
CP0532621
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| Compound Name |
(4S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(3-(pyrrolidin-1-yl)piperidin-1-yl)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C36H50N6O6
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| Molecular Weight |
662.832
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(C1)N1CCCC1
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| InChI |
InChI=1S/C36H50N6O6/c1-2-3-9-23-48-36(47)41-21-19-40(20-22-41)35(46)30(14-15-33(43)44)38-34(45)32-25-29(24-31(37-32)27-11-5-4-6-12-27)42-18-10-13-28(26-42)39-16-7-8-17-39/h4-6,11-12,24-25,28,30H,2-3,7-10,13-23,26H2,1H3,(H,38,45)(H,43,44)/t28?,30-/m0/s1
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| InChIKey |
ZRYINXBOWQYSAX-TXDWVUBVSA-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