General Information of the Compound
| Compound ID |
CP0573442
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| Compound Name |
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C17H17N5O3
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| Molecular Weight |
339.355
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| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)c1cnc(nc1O)-n1cccn1
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| InChI |
InChI=1S/C17H17N5O3/c1-11(12-4-6-13(25-2)7-5-12)20-15(23)14-10-18-17(21-16(14)24)22-9-3-8-19-22/h3-11H,1-2H3,(H,20,23)(H,18,21,24)/t11-/m0/s1
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| InChIKey |
KIFFMHNSRWITIH-NSHDSACASA-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