General Information of the Compound
| Compound ID |
CP0954093
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| Compound Name |
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(4-isopentylphenoxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C23H33N3O3S
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| Molecular Weight |
431.602
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(CCC(C)C)cc1)C2
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| InChI |
InChI=1S/C23H33N3O3S/c1-15(2)5-6-18-7-11-21(12-8-18)29-22-13-19-9-10-20(14-22)26(19)30(27,28)23-16(3)24-25-17(23)4/h7-8,11-12,15,19-20,22H,5-6,9-10,13-14H2,1-4H3,(H,24,25)/t19-,20+,22+
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| InChIKey |
XAYIESLVCREUKX-XVAYZXCPSA-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