General Information of the Compound
| Compound ID |
CP0462416
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| Compound Name |
2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-5,8-dihydropteridine-6,7-dione
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| Structure |
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| Formula |
C16H15F2N5O3S
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| Molecular Weight |
395.391
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(=O)[nH]c12
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| InChI |
InChI=1S/C16H15F2N5O3S/c1-7(5-24)19-12-11-13(21-15(26)14(25)20-11)23-16(22-12)27-6-8-3-2-4-9(17)10(8)18/h2-4,7,24H,5-6H2,1H3,(H,20,25)(H2,19,21,22,23,26)/t7-/m1/s1
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| InChIKey |
JKQZCRKCTVGXSM-SSDOTTSWSA-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