General Information of the Compound
| Compound ID |
CP0857269
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| Compound Name |
3,5-Dimethyl-4-((2-((4-((4-(trifluoromethyl)benzyl)amino)cyclohexyl)amino)thieno[3,2-d]pyrimidin-4-yl)oxy)benzonitrile
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| Structure |
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| Formula |
C29H28F3N5OS
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| Molecular Weight |
551.638
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3cccc(C(F)(F)F)c3)CC2)nc2ccsc12
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| InChI |
InChI=1S/C29H28F3N5OS/c1-17-12-20(15-33)13-18(2)25(17)38-27-26-24(10-11-39-26)36-28(37-27)35-23-8-6-22(7-9-23)34-16-19-4-3-5-21(14-19)29(30,31)32/h3-5,10-14,22-23,34H,6-9,16H2,1-2H3,(H,35,36,37)
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| InChIKey |
NJZLFGQABZGTLC-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