General Information of the Compound
| Compound ID |
CP0465019
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| Compound Name |
(3R)-6-[(8aS)-2-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methyl-3,4-dihydroisochromen-1-one
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
C[C@@H]1Cc2cc(ccc2C(=O)O1)C1C[C@H]2CN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CCN2C1
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| InChI |
InChI=1S/C28H32N2O5/c1-16-9-19-10-18(3-4-23(19)28(33)35-16)20-11-21-13-29(7-8-30(21)12-20)14-26(31)22-5-6-24-25(17(22)2)15-34-27(24)32/h3-6,10,16,20-21,26,31H,7-9,11-15H2,1-2H3/t16-,20?,21+,26+/m1/s1
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| InChIKey |
CZEDAOWAPZKNGB-ALJUOJOWSA-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