General Information of the Compound
| Compound ID |
CP0557892
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| Compound Name |
(2S)-2-[3-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C23H22ClF3N8O
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| Molecular Weight |
518.931
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H21F3N8O.ClH/c24-23(25,26)17-9-7-15(8-10-17)18-13-33(32-30-18)12-14-3-5-16(6-4-14)20-29-21(35-31-20)19-2-1-11-34(19)22(27)28;/h3-10,13,19H,1-2,11-12H2,(H3,27,28);1H/t19-;/m0./s1
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| InChIKey |
AFCPZBLOMXYPNG-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