General Information of the Compound
| Compound ID |
CP0073436
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| Compound Name |
N-[(3S,4R)-3-fluoro-1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
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| Structure |
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| Formula |
C23H23F2N7OS
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| Molecular Weight |
483.548
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| Canonical SMILES |
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C23H23F2N7OS/c1-30(23(33)10-15-2-5-17(6-3-15)32-14-26-28-29-32)20-8-9-31(12-18(20)25)13-22-27-19-11-16(24)4-7-21(19)34-22/h2-7,11,14,18,20H,8-10,12-13H2,1H3/t18-,20+/m0/s1
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| InChIKey |
ULFXUVFXHTYAIU-AZUAARDMSA-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