General Information of the Compound
| Compound ID |
CP0373999
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| Compound Name |
(1R*,2R*,5R*)-(+/-)-8-(Butylsulfonyl)-N-[4-(propan-2-yloxy)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxamide
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| Structure |
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| Formula |
C21H32N2O4S
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| Molecular Weight |
408.564
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| Canonical SMILES |
CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H](CC2)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C21H32N2O4S/c1-4-5-14-28(25,26)23-17-8-12-19(20(23)13-9-17)21(24)22-16-6-10-18(11-7-16)27-15(2)3/h6-7,10-11,15,17,19-20H,4-5,8-9,12-14H2,1-3H3,(H,22,24)/t17-,19-,20-/m1/s1
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| InChIKey |
DVRXEBSQTHPYMD-MISYRCLQSA-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