General Information of the Compound
| Compound ID |
CP0459240
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| Compound Name |
1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-8-nitroimidazo[4,5-c]quinolin-4-amine
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| Structure |
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| Formula |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccc(cc3c2n1Cc1ccc(CN)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H24N6O2/c1-2-3-4-19-26-20-21(27(19)13-15-7-5-14(12-23)6-8-15)17-11-16(28(29)30)9-10-18(17)25-22(20)24/h5-11H,2-4,12-13,23H2,1H3,(H2,24,25)
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| InChIKey |
KWSGZZPRRPCJET-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