General Information of the Compound
| Compound ID |
CP0856138
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| Compound Name |
rac-trans-N-{2-[-4-({2-Methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenyl-1-piperidinyl]-2-oxoethyl}acetamide hydrochloride
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| Structure |
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| Formula |
C25H29ClF3N7O3
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| Molecular Weight |
568
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C25H28F3N7O3.ClH/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35;/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36);1H/t20-,21+;/m0./s1
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| InChIKey |
ZFVLXKVAHUJNTG-JUDYQFGCSA-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