General Information of the Compound
| Compound ID |
CP0955093
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| Compound Name |
6-(5-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)pentylamino)-5,6,7,8-tetrahydroquinolin-2(1H)-one
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| Structure |
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| Formula |
C27H33ClN4O
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| Molecular Weight |
465.041
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| Canonical SMILES |
O=c1ccc2c([nH]1)CCC(NCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
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| InChI |
InChI=1S/C27H33ClN4O/c28-19-9-11-22-25(17-19)31-24-7-3-2-6-21(24)27(22)30-15-5-1-4-14-29-20-10-12-23-18(16-20)8-13-26(33)32-23/h8-9,11,13,17,20,29H,1-7,10,12,14-16H2,(H,30,31)(H,32,33)
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| InChIKey |
MNBBNUQRZLQJKZ-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