General Information of the Compound
| Compound ID |
CP0508708
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| Compound Name |
2-Pyrrolidin-1-yl-8-(1,3,3-trimethyl-butoxy)-quinoline
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
CC(CC(C)(C)C)Oc1cccc2ccc(nc12)N1CCCC1
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| InChI |
InChI=1S/C20H28N2O/c1-15(14-20(2,3)4)23-17-9-7-8-16-10-11-18(21-19(16)17)22-12-5-6-13-22/h7-11,15H,5-6,12-14H2,1-4H3
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| InChIKey |
KIGZEMJNLHNOPR-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