General Information of the Compound
| Compound ID |
CP0517540
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| Compound Name |
(S)-5-(4-(isopropoxycarbonyl)piperazin-1-yl)-4-(4-(2-methoxyethoxy)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H36N4O8
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| Molecular Weight |
556.616
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| Canonical SMILES |
COCCOc1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OC(C)C
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| InChI |
InChI=1S/C28H36N4O8/c1-19(2)40-28(37)32-13-11-31(12-14-32)27(36)22(9-10-25(33)34)30-26(35)24-18-21(39-16-15-38-3)17-23(29-24)20-7-5-4-6-8-20/h4-8,17-19,22H,9-16H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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| InChIKey |
NGYXNFDPXUTJPL-QFIPXVFZSA-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