General Information of the Compound
| Compound ID |
CP0895066
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| Compound Name |
(1S,5S)-8-(5-chlorothiophen-2-ylsulfonyl)-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C22H23ClN4O4S2
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| Molecular Weight |
507.037
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)s2)c1C
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| InChI |
InChI=1S/C22H23ClN4O4S2/c1-13-21(25-12-26-22(13)31-18-4-3-9-24-14(18)2)30-17-10-15-5-6-16(11-17)27(15)33(28,29)20-8-7-19(23)32-20/h3-4,7-9,12,15-17H,5-6,10-11H2,1-2H3/t15-,16+,17+
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| InChIKey |
WKMILKMUYCFEGA-FVQHAEBGSA-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
Protein ID: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor