General Information of the Compound
| Compound ID |
CP0572761
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| Compound Name |
tert-butyl 4-[[6-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
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| Formula |
C20H30F3N5O5S
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| Molecular Weight |
509.551
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(OCC2CN(C2)S(C)(=O)=O)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C20H30F3N5O5S/c1-19(2,3)33-18(29)26-7-5-15(6-8-26)28(20(21,22)23)16-9-17(25-13-24-16)32-12-14-10-27(11-14)34(4,30)31/h9,13-15H,5-8,10-12H2,1-4H3
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| InChIKey |
IZDPDUJOLKDUOB-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