General Information of the Compound
| Compound ID |
CP0578802
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| Compound Name |
1-[4-[[5,8-dimethyl-7-(2-methylphenyl)-6-oxo-7H-pteridin-2-yl]amino]phenyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C25H24N6O
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| Molecular Weight |
424.508
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)C3(CC3)C#N)nc12)c1ccccc1C
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| InChI |
InChI=1S/C25H24N6O/c1-16-6-4-5-7-19(16)21-23(32)30(2)20-14-27-24(29-22(20)31(21)3)28-18-10-8-17(9-11-18)25(15-26)12-13-25/h4-11,14,21H,12-13H2,1-3H3,(H,27,28,29)
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| InChIKey |
VJMPDQYHVWLSKD-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