General Information of the Compound
| Compound ID |
CP0282153
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| Compound Name |
N'-[4-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]phenyl]-N-[6-(diethylamino)hexyl]hexanediamide
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| Structure |
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| Formula |
C49H69N9O4
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| Molecular Weight |
848.15
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| Canonical SMILES |
CCN(CC)CCCCCCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C49H69N9O4/c1-3-56(4-2)28-10-6-5-9-27-50-45(59)15-7-8-16-46(60)51-37-17-19-38(20-18-37)54-49-41-23-21-39(52-47(61)25-33-57-29-11-12-30-57)35-43(41)55-44-36-40(22-24-42(44)49)53-48(62)26-34-58-31-13-14-32-58/h17-24,35-36H,3-16,25-34H2,1-2H3,(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H,54,55)
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| InChIKey |
LZZAQFNUKBCTHI-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