General Information of the Compound
| Compound ID |
CP0506063
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| Compound Name |
N-[2-[(3S,4R)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide
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| Structure |
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| Formula |
C25H28F3N7O3
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| Molecular Weight |
531.539
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| Canonical SMILES |
COc1ccc(cc1CN[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N7O3/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)/t20-,21-/m1/s1
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| InChIKey |
KEBGEOSFYGRLDX-NHCUHLMSSA-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