General Information of the Compound
| Compound ID |
CP0489400
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| Compound Name |
(3S,7E,8S,8aS)-2-acetyl-3-benzyl-7-benzylidene-8-(7-methoxy-1,3-benzodioxol-5-yl)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
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| Structure |
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| Formula |
C31H30N2O5
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| Molecular Weight |
510.59
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@@H](Cc3ccccc3)CN2C(=O)\C1=C\c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C31H30N2O5/c1-20(34)32-18-26-29(23-15-27(36-2)30-28(16-23)37-19-38-30)25(14-22-11-7-4-8-12-22)31(35)33(26)17-24(32)13-21-9-5-3-6-10-21/h3-12,14-16,24,26,29H,13,17-19H2,1-2H3/b25-14+/t24-,26+,29-/m0/s1
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| InChIKey |
VIDPPJILURFWHU-VZALMVKISA-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