General Information of the Compound
| Compound ID |
CP0557333
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| Compound Name |
(2S)-2-[[3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C23H25ClN8O
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| Molecular Weight |
464.961
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1Cc1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H24N8O.ClH/c24-23(25)31-12-4-7-19(31)13-21-26-22(28-32-21)18-10-8-16(9-11-18)14-30-15-20(27-29-30)17-5-2-1-3-6-17;/h1-3,5-6,8-11,15,19H,4,7,12-14H2,(H3,24,25);1H/t19-;/m0./s1
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| InChIKey |
GDSHQJROTDFWFJ-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