General Information of the Compound
| Compound ID |
CP0173425
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| Compound Name |
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-tert-butylphenyl)acrylamide
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| Structure |
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| Formula |
C25H29N3O
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| Molecular Weight |
387.527
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(C)(C)C)ccc2n1
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| InChI |
InChI=1S/C25H29N3O/c1-5-6-19-16-22(26)21-15-20(12-13-23(21)27-19)28-24(29)14-9-17-7-10-18(11-8-17)25(2,3)4/h7-16H,5-6H2,1-4H3,(H2,26,27)(H,28,29)/b14-9+
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| InChIKey |
KBOMELJTXUUCNC-NTEUORMPSA-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