General Information of the Compound
| Compound ID |
CP0525368
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| Compound Name |
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propyl 7-fluoro-5-methylsulfonyl-2,3-dihydroindole-1-carboxylate
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| Structure |
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| Formula |
C24H31FN4O4S
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| Molecular Weight |
490.601
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)C(C)COC(=O)N1CCc2cc(cc(F)c12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H31FN4O4S/c1-4-17-13-26-23(27-14-17)28-8-5-18(6-9-28)16(2)15-33-24(30)29-10-7-19-11-20(34(3,31)32)12-21(25)22(19)29/h11-14,16,18H,4-10,15H2,1-3H3
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| InChIKey |
YWUIYGHMSCMOGP-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