General Information of the Compound
| Compound ID |
CP0492622
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| Compound Name |
(S)-5-(4-(allyloxycarbonyl)piperazin-1-yl)-4-(4-butoxy-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C29H36N4O7
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| Molecular Weight |
552.628
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| Canonical SMILES |
CCCCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC=C
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| InChI |
InChI=1S/C29H36N4O7/c1-3-5-18-39-22-19-24(21-9-7-6-8-10-21)30-25(20-22)27(36)31-23(11-12-26(34)35)28(37)32-13-15-33(16-14-32)29(38)40-17-4-2/h4,6-10,19-20,23H,2-3,5,11-18H2,1H3,(H,31,36)(H,34,35)/t23-/m0/s1
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| InChIKey |
PZXINSAKKCOUDA-QHCPKHFHSA-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