General Information of the Compound
| Compound ID |
CP0349498
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| Compound Name |
(2S)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C21H20N6O2S
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| Molecular Weight |
420.498
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1cc[nH]n1)[C@H](Cc1ccccc1)NCc1cscn1
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| InChI |
InChI=1S/C21H20N6O2S/c28-20-19(9-15(10-23-20)17-6-7-25-27-17)26-21(29)18(8-14-4-2-1-3-5-14)22-11-16-12-30-13-24-16/h1-7,9-10,12-13,18,22H,8,11H2,(H,23,28)(H,25,27)(H,26,29)/t18-/m0/s1
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| InChIKey |
UFIHOFMGHSWUFF-SFHVURJKSA-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