General Information of the Compound
| Compound ID |
CP0958418
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| Compound Name |
(1R,3s,5S)-3-(4-Butylphenoxy)-8-((3,5-dimethyl-1H-pyrazol-4-yl)-sulfonyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C22H31N3O3S
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| Molecular Weight |
417.575
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| Canonical SMILES |
CCCCc1ccc(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/C22H31N3O3S/c1-4-5-6-17-7-11-20(12-8-17)28-21-13-18-9-10-19(14-21)25(18)29(26,27)22-15(2)23-24-16(22)3/h7-8,11-12,18-19,21H,4-6,9-10,13-14H2,1-3H3,(H,23,24)/t18-,19+,21-
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| InChIKey |
KFNOXWKDOQOBKO-CEQLMSFQSA-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