General Information of the Compound
| Compound ID |
CP0424578
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| Compound Name |
(2S)-2-[[3-[4-[(4-pyridin-2-yltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C22H24ClN9O
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| Molecular Weight |
465.949
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1Cc1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C22H23N9O.ClH/c23-22(24)31-11-3-4-17(31)12-20-26-21(28-32-20)16-8-6-15(7-9-16)13-30-14-19(27-29-30)18-5-1-2-10-25-18;/h1-2,5-10,14,17H,3-4,11-13H2,(H3,23,24);1H/t17-;/m0./s1
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| InChIKey |
PITNGBJYBKSVDX-LMOVPXPDSA-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