General Information of the Compound
| Compound ID |
CP0574390
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| Compound Name |
(3S,7E,8S,8aS)-2-acetyl-3-benzyl-7-[(4-hydroxy-3-methoxyphenyl)methylidene]-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 |
C32H32N2O7
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| Molecular Weight |
556.615
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@@H](Cc3ccccc3)CN2C(=O)\C1=C\c1ccc(O)c(OC)c1)C(C)=O
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| InChI |
InChI=1S/C32H32N2O7/c1-19(35)33-17-25-30(22-14-28(39-3)31-29(15-22)40-18-41-31)24(12-21-9-10-26(36)27(13-21)38-2)32(37)34(25)16-23(33)11-20-7-5-4-6-8-20/h4-10,12-15,23,25,30,36H,11,16-18H2,1-3H3/b24-12+/t23-,25+,30-/m0/s1
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| InChIKey |
VTNKDZGWTGSJSS-QJRJHIKYSA-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