General Information of the Compound
| Compound ID |
CP0555824
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| Compound Name |
1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole
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| Structure |
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| Formula |
C24H28N6O3S
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| Molecular Weight |
480.594
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H28N6O3S/c1-3-17-14-25-24(26-15-17)29-9-7-19(8-10-29)33-23-13-22(27-16-28-23)30-11-6-18-12-20(34(2,31)32)4-5-21(18)30/h4-5,12-16,19H,3,6-11H2,1-2H3
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| InChIKey |
WYMVBMLZEOFMPL-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