General Information of the Compound
| Compound ID |
CP0136737
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| Compound Name |
3,6-[4-(pyrrolidin-1-yl)butanamido]-9-[4'-(N,N-dimethylamino)anilino]acridine
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| Structure |
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| Formula |
C37H47N7O2
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| Molecular Weight |
621.83
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| Canonical SMILES |
CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCN4CCCC4)cc3nc3cc(NC(=O)CCCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C37H47N7O2/c1-42(2)30-15-11-27(12-16-30)40-37-31-17-13-28(38-35(45)9-7-23-43-19-3-4-20-43)25-33(31)41-34-26-29(14-18-32(34)37)39-36(46)10-8-24-44-21-5-6-22-44/h11-18,25-26H,3-10,19-24H2,1-2H3,(H,38,45)(H,39,46)(H,40,41)
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| InChIKey |
XWLUQMHOSNAPOE-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