General Information of the Compound
| Compound ID |
CP0149821
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| Compound Name |
4-(4-amino-2-cyclopropyl-5-methylimidazol-2-yl)-2-(4-prop-1-ynylpyridin-2-yl)phenol
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
CC#Cc1ccnc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1
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| InChI |
InChI=1S/C21H20N4O/c1-3-4-14-9-10-23-18(11-14)17-12-16(7-8-19(17)26)21(15-5-6-15)24-13(2)20(22)25-21/h7-12,15,26H,5-6H2,1-2H3,(H2,22,25)
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| InChIKey |
FXVJITQJGQEANW-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