General Information of the Compound
| Compound ID |
CP0191947
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| Compound Name |
(4aR,7aR)-2-amino-7a-(5-chlorothiophen-2-yl)-6-(4-ethyl-5-fluoro-6-methoxypyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H20ClFN6O2S
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| Molecular Weight |
438.916
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| Canonical SMILES |
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(Cl)s1
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| InChI |
InChI=1S/C18H20ClFN6O2S/c1-4-10-13(20)14(28-3)23-17(22-10)26-7-9-15(27)25(2)16(21)24-18(9,8-26)11-5-6-12(19)29-11/h5-6,9H,4,7-8H2,1-3H3,(H2,21,24)/t9-,18-/m0/s1
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| InChIKey |
ZTDGQYJGQFFPJD-YYSFKGJASA-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