General Information of the Compound
| Compound ID |
CP0273066
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| Compound Name |
6-Oxo-6-pyrrolidin-1-yl-hexanoic acid {4-[3,6-bis-(3-pyrrolidin-1-yl-propionylamino)-acridin-9-ylamino]-phenyl}-amide
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| Structure |
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| Formula |
C43H54N8O4
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| Molecular Weight |
746.957
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| Canonical SMILES |
O=C(CCCCC(=O)N1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C43H54N8O4/c52-39(9-1-2-10-42(55)51-25-7-8-26-51)44-31-11-13-32(14-12-31)47-43-35-17-15-33(45-40(53)19-27-49-21-3-4-22-49)29-37(35)48-38-30-34(16-18-36(38)43)46-41(54)20-28-50-23-5-6-24-50/h11-18,29-30H,1-10,19-28H2,(H,44,52)(H,45,53)(H,46,54)(H,47,48)
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| InChIKey |
LEMJBKXSKVGUTP-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