General Information of the Compound
| Compound ID |
CP0381620
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
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| Structure |
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| Formula |
C22H27N5O7
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| Molecular Weight |
473.486
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C22H27N5O7/c1-2-34-22(33)26-12-10-25(11-13-26)21(32)16(8-9-19(29)30)23-20(31)17-14-18(28)27(24-17)15-6-4-3-5-7-15/h3-7,14,16,24H,2,8-13H2,1H3,(H,23,31)(H,29,30)/t16-/m0/s1
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| InChIKey |
HJJVOXHADCHSSN-INIZCTEOSA-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