General Information of the Compound
| Compound ID |
CP0509552
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| Compound Name |
3,6-bis[4-(pyrrolidin-1-yl)butanamido]-9-{4'-[3''-(pyrrolidin-1-yl)propanamido]anilino}acridine
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| Structure |
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| Formula |
C42H54N8O3
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| Molecular Weight |
718.947
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| Canonical SMILES |
O=C(CCCN1CCCC1)Nc1ccc2c(Nc3ccc(NC(=O)CCN4CCCC4)cc3)c3ccc(NC(=O)CCCN4CCCC4)cc3nc2c1
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| InChI |
InChI=1S/C42H54N8O3/c51-39(9-7-26-48-20-1-2-21-48)44-33-15-17-35-37(29-33)47-38-30-34(45-40(52)10-8-27-49-22-3-4-23-49)16-18-36(38)42(35)46-32-13-11-31(12-14-32)43-41(53)19-28-50-24-5-6-25-50/h11-18,29-30H,1-10,19-28H2,(H,43,53)(H,44,51)(H,45,52)(H,46,47)
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| InChIKey |
NCHMNXXGXAICBE-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