General Information of the Compound
| Compound ID |
CP0430722
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| Compound Name |
6-Amino-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C26H28N4O3/c1-33-23-9-3-2-8-22(23)29-16-14-28(15-17-29)12-5-13-30-25(31)19-7-4-6-18-21(27)11-10-20(24(18)19)26(30)32/h2-4,6-11H,5,12-17,27H2,1H3
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| InChIKey |
FEUURGIRGWUEIP-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