General Information of the Compound
Compound ID |
CP0526729
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Compound Name |
ethyl 2-[[(2S)-1-[(2-methyl-5-pyridin-4-ylpyrazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]acetate
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Structure |
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Formula |
C22H25N5O3
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Molecular Weight |
407.474
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Canonical SMILES |
CCOC(=O)CN[C@@H](Cc1ccccc1)C(=O)Nc1cc(nn1C)-c1ccncc1
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InChI |
InChI=1S/C22H25N5O3/c1-3-30-21(28)15-24-19(13-16-7-5-4-6-8-16)22(29)25-20-14-18(26-27(20)2)17-9-11-23-12-10-17/h4-12,14,19,24H,3,13,15H2,1-2H3,(H,25,29)/t19-/m0/s1
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InChIKey |
VFLSENMNSFVDQA-IBGZPJMESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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