General Information of the Compound
| Compound ID |
CP0534437
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| Compound Name |
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-6-methylsulfanylpyrido[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H17FN4S
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| Molecular Weight |
328.416
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| Canonical SMILES |
CSc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
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| InChI |
InChI=1S/C17H17FN4S/c1-10(12-4-6-13(18)7-5-12)20-17-14-8-16(23-3)19-9-15(14)21-11(2)22-17/h4-10H,1-3H3,(H,20,21,22)/t10-/m1/s1
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| InChIKey |
GHJGFPXHZCPXAN-SNVBAGLBSA-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