General Information of the Compound
| Compound ID |
CP0285429
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| Compound Name |
3,6-bis[5-(pyrrolidin-1-yl)pentanamido]-9-[4'-(N,N-dimethylamino)anilino]acridine
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| Structure |
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| Formula |
C39H51N7O2
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| Molecular Weight |
649.884
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| Canonical SMILES |
CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCCN4CCCC4)cc3nc3cc(NC(=O)CCCCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C39H51N7O2/c1-44(2)32-17-13-29(14-18-32)42-39-33-19-15-30(40-37(47)11-3-5-21-45-23-7-8-24-45)27-35(33)43-36-28-31(16-20-34(36)39)41-38(48)12-4-6-22-46-25-9-10-26-46/h13-20,27-28H,3-12,21-26H2,1-2H3,(H,40,47)(H,41,48)(H,42,43)
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| InChIKey |
JANBDPPHVAVVMX-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