General Information of the Compound
| Compound ID |
CP0467717
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| Compound Name |
methyl 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-oxo-8H-pteridine-6-carboxylate
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| Structure |
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| Formula |
C18H17F2N5O4S
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| Molecular Weight |
437.428
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| Canonical SMILES |
COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O
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| InChI |
InChI=1S/C18H17F2N5O4S/c1-8(6-26)21-14-12-15(23-16(27)13(22-12)17(28)29-2)25-18(24-14)30-7-9-4-3-5-10(19)11(9)20/h3-5,8,26H,6-7H2,1-2H3,(H2,21,23,24,25,27)/t8-/m1/s1
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| InChIKey |
GIORSQFHUSECME-MRVPVSSYSA-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