General Information of the Compound
| Compound ID |
CP0880538
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| Compound Name |
rac-N-{2-[cis-4-({2-Methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenyl-1-piperidinyl]-2-oxoethyl}-N-methylacetamide hydrochloride
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| Structure |
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| Formula |
C26H31ClF3N7O3
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| Molecular Weight |
582.027
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C26H30F3N7O3.ClH/c1-17(37)34(2)16-24(38)35-12-11-22(21(15-35)18-7-5-4-6-8-18)30-14-19-13-20(9-10-23(19)39-3)36-25(26(27,28)29)31-32-33-36;/h4-10,13,21-22,30H,11-12,14-16H2,1-3H3;1H/t21-,22-;/m0./s1
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| InChIKey |
CDHUNUMLDZTBHJ-VROPFNGYSA-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