General Information of the Compound
| Compound ID |
CP0453810
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| Compound Name |
1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C20H20F3N5O2S
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| Molecular Weight |
451.474
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N5O2S/c1-12(24)18(29)26-10-15-7-14(11-31-15)28-16(8-17(27-28)20(21,22)23)19(30)25-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,24H2,1H3,(H,25,30)(H,26,29)/t12-/m0/s1
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| InChIKey |
MNESFLXWDRHBTN-LBPRGKRZSA-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