General Information of the Compound
| Compound ID |
CP0541492
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| Compound Name |
(2S)-2-[[3-[4-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
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| Structure |
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| Formula |
C24H23ClF3N7OS
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| Molecular Weight |
550.01
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1Cc1nc(no1)-c1ccc(Nc2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-4-1-3-15(11-16)19-13-36-23(31-19)30-17-8-6-14(7-9-17)21-32-20(35-33-21)12-18-5-2-10-34(18)22(28)29;/h1,3-4,6-9,11,13,18H,2,5,10,12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1
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| InChIKey |
QNQOQMJGGNKMLR-FERBBOLQSA-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