General Information of the Compound
| Compound ID |
CP0532608
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| Compound Name |
(S)-4-(4-((R)-3-(diethylcarbamoyl)pyrrolidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C36H50N6O7
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| Molecular Weight |
678.831
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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)N(CC)CC
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| InChI |
InChI=1S/C36H50N6O7/c1-4-7-11-22-49-36(48)41-20-18-40(19-21-41)35(47)29(14-15-32(43)44)38-33(45)31-24-28(23-30(37-31)26-12-9-8-10-13-26)42-17-16-27(25-42)34(46)39(5-2)6-3/h8-10,12-13,23-24,27,29H,4-7,11,14-22,25H2,1-3H3,(H,38,45)(H,43,44)/t27-,29+/m1/s1
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| InChIKey |
HGLFTLWQACJOLO-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