General Information of the Compound
| Compound ID |
CP0043523
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| Compound Name |
(R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(5-methoxypent-1-enyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C23H25F2N3O3
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| Molecular Weight |
429.467
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| Canonical SMILES |
COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C23H25F2N3O3/c1-28-20(29)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-3-5-14-30-2/h4,6-13,15,21H,3,5,14H2,1-2H3,(H2,26,27)/b7-4+/t23-/m1/s1
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| InChIKey |
OFPOWFKJFLXISF-KURNWNDPSA-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