General Information of the Compound
| Compound ID |
CP0436593
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| Compound Name |
3,6-bis[3-(pyrrolidin-1-yl)propionamido]-9-{4'-[2''-(pyrrolidin-1-yl)acetamido]anilino}acridine
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| Structure |
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| Formula |
C39H48N8O3
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| Molecular Weight |
676.866
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| Canonical SMILES |
O=C(CCN1CCCC1)Nc1ccc2c(Nc3ccc(NC(=O)CN4CCCC4)cc3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
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| InChI |
InChI=1S/C39H48N8O3/c48-36(15-23-45-17-1-2-18-45)41-30-11-13-32-34(25-30)44-35-26-31(42-37(49)16-24-46-19-3-4-20-46)12-14-33(35)39(32)43-29-9-7-28(8-10-29)40-38(50)27-47-21-5-6-22-47/h7-14,25-26H,1-6,15-24,27H2,(H,40,50)(H,41,48)(H,42,49)(H,43,44)
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| InChIKey |
SZQZXPJGMMBMEF-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