General Information of the Compound
| Compound ID |
CP0396158
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| Compound Name |
[5-amino-3-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-(4-morpholin-4-ylphenyl)methanone
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| Structure |
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| Formula |
C25H30FN7O3
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| Molecular Weight |
495.559
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| Canonical SMILES |
Nc1nc(Nc2ccc(OCCN3CCCC3)c(F)c2)nn1C(=O)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C25H30FN7O3/c26-21-17-19(5-8-22(21)36-16-11-31-9-1-2-10-31)28-25-29-24(27)33(30-25)23(34)18-3-6-20(7-4-18)32-12-14-35-15-13-32/h3-8,17H,1-2,9-16H2,(H3,27,28,29,30)
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| InChIKey |
IZKSSKMISWVDEJ-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: PT01101, Insulin receptor
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO