General Information of the Compound
| Compound ID |
CP0551969
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| Compound Name |
US11566028, Example 3
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| Structure |
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| Formula |
C21H21N7O3
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| Molecular Weight |
419.445
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| Canonical SMILES |
CNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(C)c3)c(OC3CCOC3)nc12
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| InChI |
InChI=1S/C21H21N7O3/c1-22-20(29)14-5-13(6-23-7-14)17-9-25-28-11-18(15-8-24-27(2)10-15)21(26-19(17)28)31-16-3-4-30-12-16/h5-11,16H,3-4,12H2,1-2H3,(H,22,29)
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| InChIKey |
YYQDOAWXLMOOHX-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: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT06924, Fibroblast growth factor receptor 3