General Information of the Compound
| Compound ID |
CP0480368
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| Compound Name |
(3R)-3-(biphenyl-2-ylcarbamoyloxy)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)nonyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C40H51N4O5+
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| Molecular Weight |
667.871
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| Canonical SMILES |
OC(CNCCCCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C40H50N4O5/c45-35-19-17-32(33-18-20-38(47)43-39(33)35)36(46)27-41-23-11-4-2-1-3-5-12-24-44-25-21-30(22-26-44)37(28-44)49-40(48)42-34-16-10-9-15-31(34)29-13-7-6-8-14-29/h6-10,13-20,30,36-37,41,46H,1-5,11-12,21-28H2,(H2-,42,43,45,47,48)/p+1/t30?,36?,37-,44?/m0/s1
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| InChIKey |
OEMAFJPJPSVKLB-PIJVGCKKSA-O
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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