General Information of the Compound
| Compound ID |
CP0219304
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| Compound Name |
(2S)-2-[3-[4-[[4-(4-fluorophenyl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C22H22ClFN8O
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| Molecular Weight |
468.924
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C22H21FN8O.ClH/c23-17-9-7-15(8-10-17)18-13-30(29-27-18)12-14-3-5-16(6-4-14)20-26-21(32-28-20)19-2-1-11-31(19)22(24)25;/h3-10,13,19H,1-2,11-12H2,(H3,24,25);1H/t19-;/m0./s1
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| InChIKey |
SVWAYUWTNXCDMK-FYZYNONXSA-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