General Information of the Compound
| Compound ID |
CP0572044
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| Compound Name |
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)oxy-N-(trifluoromethyl)pyrimidin-4-amine
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| Formula |
C21H28F3N7O4S
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| Molecular Weight |
531.561
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)Oc1cc(ncn1)N(C1CCN(CC1)c1nc(no1)C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C21H28F3N7O4S/c1-36(32,33)30-10-6-16(7-11-30)34-18-12-17(25-13-26-18)31(21(22,23)24)15-4-8-29(9-5-15)20-27-19(28-35-20)14-2-3-14/h12-16H,2-11H2,1H3
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| InChIKey |
NCMLTRVYDAYZPA-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