General Information of the Compound
| Compound ID |
CP0422255
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| Compound Name |
3,6-bis[3-(pyrrolidin-1-yl)propionamido]-9-{4'-[3''-(pyrrolidin-1-yl)propanamido]anilino}acridine
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| Structure |
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| Formula |
C40H50N8O3
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| Molecular Weight |
690.893
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| Canonical SMILES |
O=C(CCN1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C40H50N8O3/c49-37(15-24-46-18-1-2-19-46)41-29-7-9-30(10-8-29)44-40-33-13-11-31(42-38(50)16-25-47-20-3-4-21-47)27-35(33)45-36-28-32(12-14-34(36)40)43-39(51)17-26-48-22-5-6-23-48/h7-14,27-28H,1-6,15-26H2,(H,41,49)(H,42,50)(H,43,51)(H,44,45)
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| InChIKey |
WHGDFNLNGDQEPW-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