General Information of the Compound
| Compound ID |
CP0541597
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| Compound Name |
(3S,7E,8S,8aS)-2-acetyl-7-benzylidene-8-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
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| Structure |
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| Formula |
C33H32N2O8
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| Molecular Weight |
584.625
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@H](\C(=C/c2ccccc2)C3=O)c2cc3OCOc3c(OC)c2)cc2OCOc12
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| InChI |
InChI=1S/C33H32N2O8/c1-19(36)34-16-25-30(22-13-27(39-3)32-29(14-22)41-18-43-32)24(10-20-7-5-4-6-8-20)33(37)35(25)15-23(34)9-21-11-26(38-2)31-28(12-21)40-17-42-31/h4-8,10-14,23,25,30H,9,15-18H2,1-3H3/b24-10+/t23-,25+,30-/m0/s1
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| InChIKey |
LHSUMYDJXGUUCA-UZXXXJBNSA-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