General Information of the Compound
| Compound ID |
CP0896438
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| Compound Name |
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C19H19F3N6O2S
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| Molecular Weight |
452.462
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccn2)s1
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| InChI |
InChI=1S/C19H19F3N6O2S/c1-11(23)17(29)26-10-13-5-6-16(31-13)28-14(8-15(27-28)19(20,21)22)18(30)25-9-12-4-2-3-7-24-12/h2-8,11H,9-10,23H2,1H3,(H,25,30)(H,26,29)/t11-/m0/s1
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| InChIKey |
IPSHVCFQVNADNZ-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