General Information of the Compound
| Compound ID |
CP0938519
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| Compound Name |
4-((2-((4-(3-(Dimethylamino)propoxy)benzyl)amino)benzo[d]thiazol-6-yl)oxy)benzonitrile trifluoroacetate
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| Structure |
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| Formula |
C28H27F3N4O4S
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| Molecular Weight |
572.609
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| Canonical SMILES |
CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4ccc(C#N)cc4)cc3s2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H26N4O2S.C2HF3O2/c1-30(2)14-3-15-31-21-8-6-20(7-9-21)18-28-26-29-24-13-12-23(16-25(24)33-26)32-22-10-4-19(17-27)5-11-22;3-2(4,5)1(6)7/h4-13,16H,3,14-15,18H2,1-2H3,(H,28,29);(H,6,7)
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| InChIKey |
YGWPTYGWRSZBJD-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