General Information of the Compound
| Compound ID |
CP0912527
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| Compound Name |
6-(7-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino)-5,6,7,8-tetrahydroquinolin-2(1H)-one
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| Structure |
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| Formula |
C29H37ClN4O
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| Molecular Weight |
493.095
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| Canonical SMILES |
O=c1ccc2c([nH]1)CCC(NCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
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| InChI |
InChI=1S/C29H37ClN4O/c30-21-11-13-24-27(19-21)33-26-9-5-4-8-23(26)29(24)32-17-7-3-1-2-6-16-31-22-12-14-25-20(18-22)10-15-28(35)34-25/h10-11,13,15,19,22,31H,1-9,12,14,16-18H2,(H,32,33)(H,34,35)
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| InChIKey |
SPUPUJFQNOIJFY-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