General Information of the Compound
| Compound ID |
CP0187306
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| Compound Name |
3,6-Bis[3-(azepan-1-yl)propionamido]acridine
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| Structure |
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| Formula |
C31H41N5O2
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| Molecular Weight |
515.702
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| Canonical SMILES |
O=C(CCN1CCCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCCC4)cc3nc2c1
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| InChI |
InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)
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| InChIKey |
MSWYQCALXGGGBX-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