General Information of the Compound
| Compound ID |
CP0346196
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| Compound Name |
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-hydroxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C21H19F2N3O3
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| Molecular Weight |
399.397
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO
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| InChI |
InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1
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| InChIKey |
KMESKSVXSOFRDY-OAQYLSRUSA-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