General Information of the Compound
| Compound ID |
CP0415380
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-{4-[(1-methylpiperidin-4-yl)oxy]-3-(trifluoromethyl)phenyl}urea
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| Structure |
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| Formula |
C27H26ClF3N6O3
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| Molecular Weight |
574.991
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| Canonical SMILES |
CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C27H26ClF3N6O3/c1-36-10-7-17(8-11-36)39-23-6-3-16(13-19(23)27(29,30)31)34-26(38)35-21-5-4-18(14-20(21)28)40-25-24-22(32-15-33-25)9-12-37(24)2/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,34,35,38)
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| InChIKey |
NCTRDRAFCRZEPK-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2