General Information of the Compound
| Compound ID |
CP0547533
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| Compound Name |
1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-2-yl)-N-{[2-(propan-2-yloxy)phenyl]methyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H26F3N5O3S
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| Molecular Weight |
509.554
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| Canonical SMILES |
CC(C)Oc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N5O3S/c1-13(2)34-18-7-5-4-6-15(18)11-28-22(33)17-10-19(23(24,25)26)30-31(17)20-9-8-16(35-20)12-29-21(32)14(3)27/h4-10,13-14H,11-12,27H2,1-3H3,(H,28,33)(H,29,32)/t14-/m0/s1
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| InChIKey |
DYQVXYYFTUKZJP-AWEZNQCLSA-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