General Information of the Compound
| Compound ID |
CP0915403
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| Compound Name |
(1S,5S)-3-(6-(2-chlorophenoxy)-5-methylpyrimidin-4-yloxy)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C21H24ClN3O4S
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| Molecular Weight |
449.96
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| Canonical SMILES |
Cc1c(Oc2ccccc2Cl)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C21H24ClN3O4S/c1-13-20(23-12-24-21(13)29-19-5-3-2-4-18(19)22)28-16-10-14-6-7-15(11-16)25(14)30(26,27)17-8-9-17/h2-5,12,14-17H,6-11H2,1H3/t14-,15+,16+
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| InChIKey |
KCQDKJGXIVQJDK-ZSHCYNCHSA-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