General Information of the Compound
| Compound ID |
CP0909359
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| Compound Name |
N-(4-(3-Aminopropoxy)benzyl)-6-(4-(trifluoromethyl)phenoxy)benzothiazol-2-amine trifluoroacetate
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| Structure |
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| Formula |
C26H23F6N3O4S
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| Molecular Weight |
587.542
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| Canonical SMILES |
NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N3O2S.C2HF3O2/c25-24(26,27)17-4-8-19(9-5-17)32-20-10-11-21-22(14-20)33-23(30-21)29-15-16-2-6-18(7-3-16)31-13-1-12-28;3-2(4,5)1(6)7/h2-11,14H,1,12-13,15,28H2,(H,29,30);(H,6,7)
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| InChIKey |
NGISVWCBAVOZHG-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