General Information of the Compound
| Compound ID |
CP0502592
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| Compound Name |
3-(7-oxo-6-p-tolyl-2-(3-(trifluoromethyl)benzylamino)pteridin-8(7H)-yl)propanamide
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| Structure |
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| Formula |
C24H21F3N6O2
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| Molecular Weight |
482.466
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| Canonical SMILES |
Cc1ccc(cc1)-c1nc2cnc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O
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| InChI |
InChI=1S/C24H21F3N6O2/c1-14-5-7-16(8-6-14)20-22(35)33(10-9-19(28)34)21-18(31-20)13-30-23(32-21)29-12-15-3-2-4-17(11-15)24(25,26)27/h2-8,11,13H,9-10,12H2,1H3,(H2,28,34)(H,29,30,32)
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| InChIKey |
FMHWXCNTRYPHIZ-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