General Information of the Compound
| Compound ID |
CP0533474
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| Compound Name |
tert-butyl 4-[[6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
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| Formula |
C21H32F3N5O5S
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| Molecular Weight |
523.578
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C21H32F3N5O5S/c1-20(2,3)34-19(30)27-9-5-15(6-10-27)29(21(22,23)24)17-13-18(26-14-25-17)33-16-7-11-28(12-8-16)35(4,31)32/h13-16H,5-12H2,1-4H3
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| InChIKey |
ZYPAPWHZBZNCJX-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