General Information of the Compound
| Compound ID |
CP0423665
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| Compound Name |
1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-yl)-N-[(2-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C21H22F3N5O2S
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| Molecular Weight |
465.501
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1C)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N5O2S/c1-12-5-3-4-6-14(12)9-26-20(31)17-8-18(21(22,23)24)28-29(17)15-7-16(32-11-15)10-27-19(30)13(2)25/h3-8,11,13H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t13-/m0/s1
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| InChIKey |
SNRLJURQHGWGCX-ZDUSSCGKSA-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