General Information of the Compound
| Compound ID |
CP0438702
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| Compound Name |
6-Amino-2-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl]-1Hbenz[de]isoquinoline-1,3(2H)-dione
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C28H32N4O3/c1-35-25-11-4-3-10-24(25)31-18-16-30(17-19-31)14-5-2-6-15-32-27(33)21-9-7-8-20-23(29)13-12-22(26(20)21)28(32)34/h3-4,7-13H,2,5-6,14-19,29H2,1H3
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| InChIKey |
LNLAIHRJMZPBPK-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