General Information of the Compound
| Compound ID |
CP0571948
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| Compound Name |
(3S,7S,8aS)-2-acetyl-3-benzyl-3'-methoxyspiro[3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-7,5'-furan]-2',6-dione
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| Structure |
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| Formula |
C20H22N2O5
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| Molecular Weight |
370.405
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| Canonical SMILES |
COC1=C[C@]2(C[C@H]3CN([C@@H](Cc4ccccc4)CN3C2=O)C(C)=O)OC1=O
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| InChI |
InChI=1S/C20H22N2O5/c1-13(23)21-12-16-9-20(10-17(26-2)18(24)27-20)19(25)22(16)11-15(21)8-14-6-4-3-5-7-14/h3-7,10,15-16H,8-9,11-12H2,1-2H3/t15-,16-,20-/m0/s1
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| InChIKey |
FIFJQKCGFISZSC-FTRWYGJKSA-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