General Information of the Compound
| Compound ID |
CP0372044
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| Compound Name |
(4S)-4-(4-(3-aminopiperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H44N6O6
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| Molecular Weight |
608.74
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCCC(N)C1
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| InChI |
InChI=1S/C32H44N6O6/c1-2-3-7-19-44-32(43)37-17-15-36(16-18-37)31(42)26(12-13-29(39)40)35-30(41)28-21-25(38-14-8-11-24(33)22-38)20-27(34-28)23-9-5-4-6-10-23/h4-6,9-10,20-21,24,26H,2-3,7-8,11-19,22,33H2,1H3,(H,35,41)(H,39,40)/t24?,26-/m0/s1
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| InChIKey |
OETMKYZCXRIQDL-JKGBFCRXSA-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