General Information of the Compound
| Compound ID |
CP0037302
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| Compound Name |
1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
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| Structure |
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| Formula |
C21H19FN6O
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| Molecular Weight |
390.422
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
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| InChI |
InChI=1S/C21H19FN6O/c1-12-3-8-16(22)17(9-12)26-21(29)25-14-6-4-13(5-7-14)15-10-24-11-18-19(15)20(23)27-28(18)2/h3-11H,1-2H3,(H2,23,27)(H2,25,26,29)
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| InChIKey |
YEPNVBNYCRGZRX-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