General Information of the Compound
| Compound ID |
CP0927946
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| Compound Name |
endo-N-((S)-1-(4-(Trifluoromethyl)phenyl)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)propyl)-2-phenoxyacetamide
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| Formula |
C31H38F3N5O2
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| Molecular Weight |
569.672
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| Canonical SMILES |
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)COc1ccccc1)c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C31H38F3N5O2/c1-20(2)30-37-36-21(3)39(30)26-17-24-13-14-25(18-26)38(24)16-15-28(22-9-11-23(12-10-22)31(32,33)34)35-29(40)19-41-27-7-5-4-6-8-27/h4-12,20,24-26,28H,13-19H2,1-3H3,(H,35,40)/t24-,25+,26+,28-/m0/s1
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| InChIKey |
WPMFDRILQMCTSY-NLFSJDMNSA-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