General Information of the Compound
| Compound ID |
CP0915335
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| Compound Name |
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-((5-(ethoxymethyl)pyrazin-2-yl)oxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C19H27N5O4S
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| Molecular Weight |
421.523
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| Canonical SMILES |
CCOCc1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cn1
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| InChI |
InChI=1S/C19H27N5O4S/c1-4-27-11-14-9-21-18(10-20-14)28-17-7-15-5-6-16(8-17)24(15)29(25,26)19-12(2)22-23-13(19)3/h9-10,15-17H,4-8,11H2,1-3H3,(H,22,23)/t15-,16+,17+
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| InChIKey |
FVIHLKFGYOKIDE-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