General Information of the Compound
| Compound ID |
CP0326453
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| Compound Name |
1-(2-fluoro-5-methylphenyl)-3-[4-(3-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
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| Structure |
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| Formula |
C21H20FN5O2
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| Molecular Weight |
393.422
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| Canonical SMILES |
Cc1n[nH]c2N=C(O)CC(c12)c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1
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| InChI |
InChI=1S/C21H20FN5O2/c1-11-3-8-16(22)17(9-11)24-21(29)23-14-6-4-13(5-7-14)15-10-18(28)25-20-19(15)12(2)26-27-20/h3-9,15H,10H2,1-2H3,(H2,23,24,29)(H2,25,26,27,28)
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| InChIKey |
KVBOCAZZUXCBCJ-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
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha