General Information of the Compound
| Compound ID |
CP0542975
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| Compound Name |
2-amino-8-[2-[3-(4-methoxy-N-methylanilino)azetidin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C24H27N7O3
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| Molecular Weight |
461.526
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| Canonical SMILES |
COc1ccc(cc1)N(C)C1CN(CCn2c3nc(N)nc(-c4ccc(C)o4)c3ncc2=O)C1
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| InChI |
InChI=1S/C24H27N7O3/c1-15-4-9-19(34-15)21-22-23(28-24(25)27-21)31(20(32)12-26-22)11-10-30-13-17(14-30)29(2)16-5-7-18(33-3)8-6-16/h4-9,12,17H,10-11,13-14H2,1-3H3,(H2,25,27,28)
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| InChIKey |
QQMMRUXVEWMQKW-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