General Information of the Compound
| Compound ID |
CP0909360
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| Compound Name |
4-((2-((4-(3-Aminopropoxy)benzyl)(methyl)amino)benzo[d]thiazol-6-yl)oxy)benzonitrile trifluoroacetate
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| Structure |
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| Formula |
C27H25F3N4O4S
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| Molecular Weight |
558.582
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| Canonical SMILES |
CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(C#N)cc3)cc2s1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H24N4O2S.C2HF3O2/c1-29(17-19-5-7-20(8-6-19)30-14-2-13-26)25-28-23-12-11-22(15-24(23)32-25)31-21-9-3-18(16-27)4-10-21;3-2(4,5)1(6)7/h3-12,15H,2,13-14,17,26H2,1H3;(H,6,7)
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| InChIKey |
QDRRPAPOJRFZCR-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