General Information of the Compound
| Compound ID |
CP0526348
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| Compound Name |
(S)-1-(3-((2-aminopropanethioamido)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H24F3N5O2S
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| Molecular Weight |
491.539
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=S)[C@H](C)N)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5O2S/c1-14(27)22(34)29-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)21(32)28-13-16-7-3-4-9-19(16)33-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,34)/t14-/m0/s1
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| InChIKey |
HKDKBLKIWFYBEF-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