General Information of the Compound
| Compound ID |
CP0573105
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| Compound Name |
2-amino-4-(5-methylfuran-2-yl)-8-[2-[4-(4-phenoxyphenyl)piperazin-1-yl]ethyl]pteridin-7-one
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| Structure |
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| Formula |
C29H29N7O3
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| Molecular Weight |
523.597
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(CCN3CCN(CC3)c3ccc(Oc4ccccc4)cc3)c(=O)cnc12
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| InChI |
InChI=1S/C29H29N7O3/c1-20-7-12-24(38-20)26-27-28(33-29(30)32-26)36(25(37)19-31-27)18-15-34-13-16-35(17-14-34)21-8-10-23(11-9-21)39-22-5-3-2-4-6-22/h2-12,19H,13-18H2,1H3,(H2,30,32,33)
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| InChIKey |
WALHSXGJSVIXLF-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