General Information of the Compound
| Compound ID |
CP0572783
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| Compound Name |
tert-butyl 4-[[6-[methyl-(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
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| Formula |
C22H35F3N6O4S
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| Molecular Weight |
536.621
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)c1cc(ncn1)N(C1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H35F3N6O4S/c1-21(2,3)35-20(32)29-10-6-17(7-11-29)31(22(23,24)25)19-14-18(26-15-27-19)28(4)16-8-12-30(13-9-16)36(5,33)34/h14-17H,6-13H2,1-5H3
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| InChIKey |
MEDWQGXFIDOKGK-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