General Information of the Compound
| Compound ID |
CP0459748
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-pyridin-4-ylpyrimidine-4-carbonyl)amino]pentanoic acid
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| Structure |
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| Formula |
C28H30N6O6
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| Molecular Weight |
546.584
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccncc1
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| InChI |
InChI=1S/C28H30N6O6/c1-2-40-28(39)34-16-14-33(15-17-34)27(38)21(8-9-24(35)36)32-26(37)23-18-22(19-10-12-29-13-11-19)30-25(31-23)20-6-4-3-5-7-20/h3-7,10-13,18,21H,2,8-9,14-17H2,1H3,(H,32,37)(H,35,36)/t21-/m0/s1
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| InChIKey |
MMZRQXNQOXKXKD-NRFANRHFSA-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