General Information of the Compound
| Compound ID |
CP0389345
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| Compound Name |
3-[5-[(4aR,7aR)-2-amino-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]-5-methoxybenzonitrile
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| Structure |
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| Formula |
C23H20FN7O2S
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| Molecular Weight |
477.525
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| Canonical SMILES |
COc1cc(cc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(=N)N2)c1ncc(F)cn1)C#N
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| InChI |
InChI=1S/C23H20FN7O2S/c1-30-20(32)18-10-31(22-27-8-16(24)9-28-22)12-23(18,29-21(30)26)19-6-15(11-34-19)14-3-13(7-25)4-17(5-14)33-2/h3-6,8-9,11,18H,10,12H2,1-2H3,(H2,26,29)/t18-,23-/m0/s1
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| InChIKey |
GDMOHIQJNDBNLW-MBSDFSHPSA-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