General Information of the Compound
| Compound ID |
CP0569843
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| Compound Name |
tert-butyl 4-[[6-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
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| Formula |
C21H33F3N6O4S
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| Molecular Weight |
522.594
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(NC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C21H33F3N6O4S/c1-20(2,3)34-19(31)28-9-7-16(8-10-28)30(21(22,23)24)18-13-17(25-14-26-18)27-15-5-11-29(12-6-15)35(4,32)33/h13-16H,5-12H2,1-4H3,(H,25,26,27)
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| InChIKey |
CFZZZDOEMJABTD-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