General Information of the Compound
| Compound ID |
CP0542877
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| Compound Name |
(3S,7E,8S,8aS)-2-acetyl-7-[(4-hydroxyphenyl)methylidene]-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 |
C33H32N2O9
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| Molecular Weight |
600.624
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@H](\C(=C/c2ccc(O)cc2)C3=O)c2cc3OCOc3c(OC)c2)cc2OCOc12
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| InChI |
InChI=1S/C33H32N2O9/c1-18(36)34-15-25-30(21-12-27(40-3)32-29(13-21)42-17-44-32)24(9-19-4-6-23(37)7-5-19)33(38)35(25)14-22(34)8-20-10-26(39-2)31-28(11-20)41-16-43-31/h4-7,9-13,22,25,30,37H,8,14-17H2,1-3H3/b24-9+/t22-,25+,30-/m0/s1
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| InChIKey |
UEIOXZDBQQSQDW-GXPRVEJISA-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