General Information of the Compound
| Compound ID |
CP0575044
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| Compound Name |
2-amino-8-[2-[4-[4-(difluoromethoxy)-2-fluorophenyl]piperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C24H24F3N7O3
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| Molecular Weight |
515.496
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(CCN3CCN(CC3)c3ccc(OC(F)F)cc3F)c(=O)cnc12
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| InChI |
InChI=1S/C24H24F3N7O3/c1-14-2-5-18(36-14)20-21-22(31-24(28)30-20)34(19(35)13-29-21)11-8-32-6-9-33(10-7-32)17-4-3-15(12-16(17)25)37-23(26)27/h2-5,12-13,23H,6-11H2,1H3,(H2,28,30,31)
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| InChIKey |
QGECMPYZQFGGQK-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