General Information of the Compound
| Compound ID |
CP0502096
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| Compound Name |
1-(4-{[(2S)-2-aminopropanamido]methyl}-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C20H21F3N6O3S
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| Molecular Weight |
482.488
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1nc(CNC(=O)[C@H](C)N)cs1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F3N6O3S/c1-11(24)17(30)26-9-13-10-33-19(27-13)29-14(7-16(28-29)20(21,22)23)18(31)25-8-12-5-3-4-6-15(12)32-2/h3-7,10-11H,8-9,24H2,1-2H3,(H,25,31)(H,26,30)/t11-/m0/s1
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| InChIKey |
GWHJKJRCTHJUPO-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