General Information of the Compound
| Compound ID |
CP0021461
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| Compound Name |
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-3-yl)-7H-pteridin-6-one
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| Structure |
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| Formula |
C22H21FN8O
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| Molecular Weight |
432.463
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| Canonical SMILES |
CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/m1/s1
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| InChIKey |
JMVCDNFYMJCUDW-MRXNPFEDSA-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