General Information of the Compound
| Compound ID |
CP0451480
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| Compound Name |
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
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| Structure |
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| Formula |
C22H17F3N6O3
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| Molecular Weight |
470.411
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| Canonical SMILES |
FC(F)(F)C1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1
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| InChI |
InChI=1S/C22H17F3N6O3/c23-22(24,25)21(4-5-21)17-8-18(30-34-17)29-20(32)31-6-3-12-7-13(1-2-16(12)31)33-19-14-9-26-10-15(14)27-11-28-19/h1-3,6-8,11,26H,4-5,9-10H2,(H,29,30,32)
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| InChIKey |
NLPLUYRSIUXZHN-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