General Information of the Compound
| Compound ID |
CP0913326
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| Compound Name |
2-(3-(4-(((6-(4-Fluorophenoxy)benzo[d]thiazol-2-yl)(methyl)amino)methyl)phenoxy)propyl)guanidine trifluoroacetate
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| Structure |
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| Formula |
C27H27F4N5O4S
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| Molecular Weight |
593.603
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| Canonical SMILES |
CN(Cc1ccc(OCCCNC(=N)N)cc1)c1nc2ccc(Oc3ccc(F)cc3)cc2s1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H26FN5O2S.C2HF3O2/c1-31(16-17-3-7-19(8-4-17)32-14-2-13-29-24(27)28)25-30-22-12-11-21(15-23(22)34-25)33-20-9-5-18(26)6-10-20;3-2(4,5)1(6)7/h3-12,15H,2,13-14,16H2,1H3,(H4,27,28,29);(H,6,7)
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| InChIKey |
KQZFXDBGIREUTE-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