General Information of the Compound
| Compound ID |
CP0958417
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| Compound Name |
(1R,3s,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(p-tolyloxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C19H25N3O3S
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| Molecular Weight |
375.494
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| Canonical SMILES |
Cc1ccc(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/C19H25N3O3S/c1-12-4-8-17(9-5-12)25-18-10-15-6-7-16(11-18)22(15)26(23,24)19-13(2)20-21-14(19)3/h4-5,8-9,15-16,18H,6-7,10-11H2,1-3H3,(H,20,21)/t15-,16+,18-
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| InChIKey |
QYAFLLYBEKVBOD-ALXJQNPVSA-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