General Information of the Compound
| Compound ID |
CP0509855
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| Compound Name |
3-(7-oxo-6-(pyridin-3-yl)-2-(3-(trifluoromethyl)benzylamino)pteridin-8(7H)-yl)propanamide
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| Structure |
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| Formula |
C22H18F3N7O2
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| Molecular Weight |
469.427
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| Canonical SMILES |
NC(=O)CCn1c2nc(NCc3cccc(c3)C(F)(F)F)ncc2nc(-c2cccnc2)c1=O
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| InChI |
InChI=1S/C22H18F3N7O2/c23-22(24,25)15-5-1-3-13(9-15)10-28-21-29-12-16-19(31-21)32(8-6-17(26)33)20(34)18(30-16)14-4-2-7-27-11-14/h1-5,7,9,11-12H,6,8,10H2,(H2,26,33)(H,28,29,31)
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| InChIKey |
HNEOHYVDWRBYCX-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