General Information of the Compound
| Compound ID |
CP0122056
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| Compound Name |
2,2-dimethyl-6-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C18H16F3N5O3
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| Molecular Weight |
407.352
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| Canonical SMILES |
CC1(C)Oc2ccc(Nc3nc(NCC(F)(F)F)c4occc4n3)cc2NC1=O
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| InChI |
InChI=1S/C18H16F3N5O3/c1-17(2)15(27)24-11-7-9(3-4-12(11)29-17)23-16-25-10-5-6-28-13(10)14(26-16)22-8-18(19,20)21/h3-7H,8H2,1-2H3,(H,24,27)(H2,22,23,25,26)
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| InChIKey |
XITRJNOBNCFWMW-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