General Information of the Compound
| Compound ID |
CP0953691
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| Compound Name |
N-(4-(3-(Dimethylamino)propoxy)benzyl)-6-(3-(trifluoromethyl)phenoxy)benzo[d]thiazol-2-amine trifluoroacetate
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| Structure |
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| Formula |
C28H27F6N3O4S
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| Molecular Weight |
615.596
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| Canonical SMILES |
CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4cccc(C(F)(F)F)c4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N3O2S.C2HF3O2/c1-32(2)13-4-14-33-20-9-7-18(8-10-20)17-30-25-31-23-12-11-22(16-24(23)35-25)34-21-6-3-5-19(15-21)26(27,28)29;3-2(4,5)1(6)7/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H,30,31);(H,6,7)
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| InChIKey |
PXKMQLVCXDLFDY-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