General Information of the Compound
| Compound ID |
CP0905027
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| Compound Name |
cis-rac-1-Acetyl-N-{2-methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-3-phenyl-4-piperidinamine hydrochloride
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| Structure |
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| Formula |
C23H26ClF3N6O2
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| Molecular Weight |
510.948
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C23H25F3N6O2.ClH/c1-15(33)31-11-10-20(19(14-31)16-6-4-3-5-7-16)27-13-17-12-18(8-9-21(17)34-2)32-22(23(24,25)26)28-29-30-32;/h3-9,12,19-20,27H,10-11,13-14H2,1-2H3;1H/t19-,20-;/m0./s1
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| InChIKey |
GTUFRMYIECCQGJ-FKLPMGAJSA-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