General Information of the Compound
| Compound ID |
CP0826607
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| Compound Name |
6-(3-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)propylamino)-5,6,7,8-tetrahydroquinolin-2(1H)-one
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| Structure |
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| Formula |
C25H29ClN4O
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| Molecular Weight |
436.987
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| Canonical SMILES |
O=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
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| InChI |
InChI=1S/C25H29ClN4O/c26-17-7-9-20-23(15-17)29-22-5-2-1-4-19(22)25(20)28-13-3-12-27-18-8-10-21-16(14-18)6-11-24(31)30-21/h6-7,9,11,15,18,27H,1-5,8,10,12-14H2,(H,28,29)(H,30,31)
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| InChIKey |
BUAMEGRAPHLCJR-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