General Information of the Compound
| Compound ID |
CP0372045
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| Compound Name |
(S)-4-(4-((R)-3-hydroxypiperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H43N5O7
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| Molecular Weight |
609.724
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC[C@@H](O)C1
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| InChI |
InChI=1S/C32H43N5O7/c1-2-3-7-19-44-32(43)36-17-15-35(16-18-36)31(42)26(12-13-29(39)40)34-30(41)28-21-24(37-14-8-11-25(38)22-37)20-27(33-28)23-9-5-4-6-10-23/h4-6,9-10,20-21,25-26,38H,2-3,7-8,11-19,22H2,1H3,(H,34,41)(H,39,40)/t25-,26+/m1/s1
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| InChIKey |
IVOQNAUOSVRACT-FTJBHMTQSA-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