General Information of the Compound
| Compound ID |
CP0114936
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| Compound Name |
(2S)-N-[5-(1-methylpyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C22H22N6O2S
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| Molecular Weight |
434.525
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| Canonical SMILES |
Cn1cc(cn1)-c1c[nH]c(=O)c(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)c1
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| InChI |
InChI=1S/C22H22N6O2S/c1-28-12-17(10-26-28)16-8-20(21(29)24-9-16)27-22(30)19(7-15-5-3-2-4-6-15)23-11-18-13-31-14-25-18/h2-6,8-10,12-14,19,23H,7,11H2,1H3,(H,24,29)(H,27,30)/t19-/m0/s1
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| InChIKey |
YQNXDEQPYRYJGP-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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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