General Information of the Compound
| Compound ID |
CP0173426
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| Compound Name |
(E)-4-(3-(4-amino-2-propylquinolin-6-ylamino)-3-oxoprop-1-enyl)phenyl acetate
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(OC(C)=O)cc3)ccc2n1
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| InChI |
InChI=1S/C23H23N3O3/c1-3-4-17-14-21(24)20-13-18(8-11-22(20)25-17)26-23(28)12-7-16-5-9-19(10-6-16)29-15(2)27/h5-14H,3-4H2,1-2H3,(H2,24,25)(H,26,28)/b12-7+
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| InChIKey |
WWSIPZXUTDAWFG-KPKJPENVSA-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