General Information of the Compound
| Compound ID |
CP0443984
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| Compound Name |
1-[3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
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| Formula |
C21H20ClN7O
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| Molecular Weight |
421.892
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| Canonical SMILES |
Cl.NC(=N)C1(CC1)c1nc(no1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C21H19N7O.ClH/c22-19(23)21(10-11-21)20-24-18(26-29-20)16-8-6-14(7-9-16)12-28-13-17(25-27-28)15-4-2-1-3-5-15;/h1-9,13H,10-12H2,(H3,22,23);1H
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| InChIKey |
GPXXBTMQOFJPSY-UHFFFAOYSA-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