General Information of the Compound
| Compound ID |
CP0462670
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| Compound Name |
1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-yl)-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C20H19F4N5O2S
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| Molecular Weight |
469.464
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1F)C(F)(F)F
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| InChI |
InChI=1S/C20H19F4N5O2S/c1-11(25)18(30)27-9-14-6-13(10-32-14)29-16(7-17(28-29)20(22,23)24)19(31)26-8-12-4-2-3-5-15(12)21/h2-7,10-11H,8-9,25H2,1H3,(H,26,31)(H,27,30)/t11-/m0/s1
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| InChIKey |
LUIATCVINAJGQR-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