General Information of the Compound
| Compound ID |
CP0487851
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| Compound Name |
6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-N-(trifluoromethyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C24H28F3N7O3S
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| Molecular Weight |
551.595
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)N(c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C24H28F3N7O3S/c1-15(2)22-30-23(37-31-22)32-9-7-17(8-10-32)34(24(25,26)27)21-13-20(28-14-29-21)33-11-6-16-12-18(38(3,35)36)4-5-19(16)33/h4-5,12-15,17H,6-11H2,1-3H3
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| InChIKey |
KOHWFUOMWLTPDC-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