General Information of the Compound
| Compound ID |
CP0518794
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| Compound Name |
(4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-piperazin-1-ylpentanoate
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C25H32N4O4/c1-25(2,3)33-22(30)13-12-21(24(32)29-16-14-26-15-17-29)28-23(31)20-11-7-10-19(27-20)18-8-5-4-6-9-18/h4-11,21,26H,12-17H2,1-3H3,(H,28,31)/t21-/m0/s1
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| InChIKey |
UZHNMBFNRRQWIA-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