General Information of the Compound
| Compound ID |
CP0553311
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| Compound Name |
2-[[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]sulfinyl]ethanol
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| Formula |
C24H30N6O4S
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| Molecular Weight |
498.609
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)[S+]([O-])CCO
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| InChI |
InChI=1S/C24H30N6O4S/c1-16(2)23-27-24(34-28-23)29-8-6-18(7-9-29)33-22-14-21(25-15-26-22)30-10-5-17-13-19(3-4-20(17)30)35(32)12-11-31/h3-4,13-16,18,31H,5-12H2,1-2H3
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| InChIKey |
URFSWOFOTNTFBZ-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