General Information of the Compound
| Compound ID |
CP0140438
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| Compound Name |
(2S)-2-[3-[4-[(4-pyridin-2-yltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C21H22ClN9O
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| Molecular Weight |
451.922
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| Canonical SMILES |
Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C21H21N9O.ClH/c22-21(23)30-11-3-5-18(30)20-25-19(27-31-20)15-8-6-14(7-9-15)12-29-13-17(26-28-29)16-4-1-2-10-24-16;/h1-2,4,6-10,13,18H,3,5,11-12H2,(H3,22,23);1H/t18-;/m0./s1
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| InChIKey |
PSHVEEPPMUIGFR-FERBBOLQSA-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