General Information of the Compound
| Compound ID |
CP0965877
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| Compound Name |
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(4-(trifluoromethyl)phenoxy)-8-azabicyclo[3.2.1]octone
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| Formula |
C19H22F3N3O3S
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| Molecular Weight |
429.464
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(F)(F)F)cc1)C2
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| InChI |
InChI=1S/C19H22F3N3O3S/c1-11-18(12(2)24-23-11)29(26,27)25-14-5-6-15(25)10-17(9-14)28-16-7-3-13(4-8-16)19(20,21)22/h3-4,7-8,14-15,17H,5-6,9-10H2,1-2H3,(H,23,24)/t14-,15+,17+
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| InChIKey |
BHMNWGVLXVTWPG-QLPKVWCKSA-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