General Information of the Compound
| Compound ID |
CP0154854
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| Compound Name |
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-nitrophenyl)acrylamide
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)[N+]([O-])=O)ccc2n1
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| InChI |
InChI=1S/C21H20N4O3/c1-2-3-15-13-19(22)18-12-16(7-10-20(18)23-15)24-21(26)11-6-14-4-8-17(9-5-14)25(27)28/h4-13H,2-3H2,1H3,(H2,22,23)(H,24,26)/b11-6+
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| InChIKey |
QWBGUUIKLHWMCZ-IZZDOVSWSA-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