General Information of the Compound
| Compound ID |
CP0905029
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| Compound Name |
rac-cis-1-[(1-Acetyl-3-azetidinyl)carbonyl]-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 |
C27H31ClF3N7O3
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| Molecular Weight |
594.038
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C27H30F3N7O3.ClH/c1-17(38)36-14-20(15-36)25(39)35-11-10-23(22(16-35)18-6-4-3-5-7-18)31-13-19-12-21(8-9-24(19)40-2)37-26(27(28,29)30)32-33-34-37;/h3-9,12,20,22-23,31H,10-11,13-16H2,1-2H3;1H/t22-,23-;/m0./s1
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| InChIKey |
PKHYMEKHEVXVRW-SJEIDVEUSA-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