General Information of the Compound
| Compound ID |
CP0854025
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| Compound Name |
rac-cis-4-({2-Methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-N,N-dimethyl-3-phenyl-1-piperidinecarboxamide hydrochloride
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| Structure |
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| Formula |
C24H29ClF3N7O2
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| Molecular Weight |
539.99
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)N(C)C)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C24H28F3N7O2.ClH/c1-32(2)23(35)33-12-11-20(19(15-33)16-7-5-4-6-8-16)28-14-17-13-18(9-10-21(17)36-3)34-22(24(25,26)27)29-30-31-34;/h4-10,13,19-20,28H,11-12,14-15H2,1-3H3;1H/t19-,20-;/m0./s1
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| InChIKey |
JNEVGDARMJGANM-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