General Information of the Compound
| Compound ID |
CP0553117
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| Compound Name |
(2S)-2-[3-[4-[(4-thiophen-2-yltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C20H21ClN8OS
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| Molecular Weight |
456.963
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(Cn2cc(nn2)-c2cccs2)cc1
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| InChI |
InChI=1S/C20H20N8OS.ClH/c21-20(22)28-9-1-3-16(28)19-23-18(25-29-19)14-7-5-13(6-8-14)11-27-12-15(24-26-27)17-4-2-10-30-17;/h2,4-8,10,12,16H,1,3,9,11H2,(H3,21,22);1H/t16-;/m0./s1
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| InChIKey |
NTDQKAJVDYLBKU-NTISSMGPSA-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