General Information of the Compound
| Compound ID |
CP0203090
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| Compound Name |
1-hexyl-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
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| Structure |
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| Formula |
C20H25N5O
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| Molecular Weight |
351.454
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
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| InChI |
InChI=1S/C20H25N5O/c1-3-4-5-6-12-22-20(26)23-16-9-7-15(8-10-16)17-11-13-21-19-18(17)14(2)24-25-19/h7-11,13H,3-6,12H2,1-2H3,(H,21,24,25)(H2,22,23,26)
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| InChIKey |
JYSCRDCBJSBWKB-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