General Information of the Compound
| Compound ID |
CP0968803
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| Compound Name |
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(4-(ethoxymethyl)phenoxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C21H29N3O4S
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| Molecular Weight |
419.547
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| Canonical SMILES |
CCOCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1
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| InChI |
InChI=1S/C21H29N3O4S/c1-4-27-13-16-5-9-19(10-6-16)28-20-11-17-7-8-18(12-20)24(17)29(25,26)21-14(2)22-23-15(21)3/h5-6,9-10,17-18,20H,4,7-8,11-13H2,1-3H3,(H,22,23)/t17-,18+,20+
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| InChIKey |
FJBRFROBVSFYAH-RUYXUALKSA-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