General Information of the Compound
| Compound ID |
CP0571553
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| Compound Name |
4-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)aniline
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| Formula |
C14H15ClF3N3O
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| Molecular Weight |
333.741
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| Canonical SMILES |
Cn1ccnc1CNc1ccc(Cl)cc1OCCC(F)(F)F
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| InChI |
InChI=1S/C14H15ClF3N3O/c1-21-6-5-19-13(21)9-20-11-3-2-10(15)8-12(11)22-7-4-14(16,17)18/h2-3,5-6,8,20H,4,7,9H2,1H3
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| InChIKey |
ACWJOIPBDCZNCU-UHFFFAOYSA-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