General Information of the Compound
| Compound ID |
CP0234425
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| Compound Name |
(4aR,7aR)-2-amino-7a-(5-chlorothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-propylpyrimidin-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 |
C19H22ClFN6O2S
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| Molecular Weight |
452.943
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| Canonical SMILES |
CCCc1nc(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/C19H22ClFN6O2S/c1-4-5-11-14(21)15(29-3)24-18(23-11)27-8-10-16(28)26(2)17(22)25-19(10,9-27)12-6-7-13(20)30-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,22,25)/t10-,19-/m0/s1
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| InChIKey |
KPZCPKGBTLMHPQ-OVWNDWIMSA-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