General Information of the Compound
| Compound ID |
CP0376603
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-2-(4-imidazol-1-yl-phenyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
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| Structure |
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| Formula |
C27H20N4O3
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| Molecular Weight |
448.482
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| Canonical SMILES |
Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ccc(cc1)-n1ccnc1
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| InChI |
InChI=1S/C27H20N4O3/c32-27-20-3-1-2-4-22(20)29-25-21(27)14-31(19-8-6-18(7-9-19)30-12-11-28-15-30)26(25)17-5-10-23-24(13-17)34-16-33-23/h1-13,15,26H,14,16H2,(H,29,32)
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| InChIKey |
YFLMNOXPPJOBCJ-UHFFFAOYSA-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