General Information of the Compound
| Compound ID |
CP0066175
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| Compound Name |
3-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
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| Structure |
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3
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| InChIKey |
WLUUEQZPBDKNPQ-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