General Information of the Compound
| Compound ID |
CP0851278
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| Compound Name |
4-((2-((4-(3-Aminopropoxy)benzyl)amino)benzo[d]thiazol-6-yl)oxy)benzonitrile trifluoroacetate
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| Structure |
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| Formula |
C26H23F3N4O4S
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| Molecular Weight |
544.555
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| Canonical SMILES |
N#Cc1ccc(Oc2ccc3nc(NCc4ccc(OCCCN)cc4)sc3c2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H22N4O2S.C2HF3O2/c25-12-1-13-29-19-6-4-18(5-7-19)16-27-24-28-22-11-10-21(14-23(22)31-24)30-20-8-2-17(15-26)3-9-20;3-2(4,5)1(6)7/h2-11,14H,1,12-13,16,25H2,(H,27,28);(H,6,7)
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| InChIKey |
VNFGZNIKRHVNNE-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