General Information of the Compound
| Compound ID |
CP0851280
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| Compound Name |
N-(4-(3-(Dimethylamino)propoxy)benzyl)-6-(4-fluorophenoxy)benzo[d]thiazol-2-amine trifluoroacetate
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| Structure |
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| Formula |
C27H27F4N3O4S
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| Molecular Weight |
565.589
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| Canonical SMILES |
CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4ccc(F)cc4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H26FN3O2S.C2HF3O2/c1-29(2)14-3-15-30-20-8-4-18(5-9-20)17-27-25-28-23-13-12-22(16-24(23)32-25)31-21-10-6-19(26)7-11-21;3-2(4,5)1(6)7/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,28);(H,6,7)
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| InChIKey |
FIMNBPNZRGQTSO-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