General Information of the Compound
| Compound ID |
CP0513905
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-((R)-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C36H48N6O7
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| Molecular Weight |
676.815
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@H](C1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C36H48N6O7/c1-2-3-9-22-49-36(48)41-20-18-40(19-21-41)35(47)29(12-13-32(43)44)38-33(45)31-24-28(23-30(37-31)26-10-5-4-6-11-26)42-17-14-27(25-42)34(46)39-15-7-8-16-39/h4-6,10-11,23-24,27,29H,2-3,7-9,12-22,25H2,1H3,(H,38,45)(H,43,44)/t27-,29+/m1/s1
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| InChIKey |
LPQOHXBXVPFPFO-PXJZQJOASA-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