General Information of the Compound
| Compound ID |
CP0517340
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| Compound Name |
(2S)-2-[[3-[4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C21H25ClN10O
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| Molecular Weight |
468.953
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| Canonical SMILES |
Cl.Cn1cc(cn1)-c1cn(Cc2ccc(cc2)-c2noc(C[C@@H]3CCCN3C(N)=N)n2)nn1
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| InChI |
InChI=1S/C21H24N10O.ClH/c1-29-12-16(10-24-29)18-13-30(28-26-18)11-14-4-6-15(7-5-14)20-25-19(32-27-20)9-17-3-2-8-31(17)21(22)23;/h4-7,10,12-13,17H,2-3,8-9,11H2,1H3,(H3,22,23);1H/t17-;/m0./s1
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| InChIKey |
UZFFPFSVXJRLCE-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