General Information of the Compound
| Compound ID |
CP0447855
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| Compound Name |
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H21FN6O
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| Molecular Weight |
452.493
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)-c1nn[nH]n1)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H21FN6O/c1-17(19-9-11-23(27)12-10-19)33(16-18-5-4-7-21(13-18)25-29-31-32-30-25)26(34)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,29,30,31,32)/t17-/m1/s1
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| InChIKey |
BKFVICRZSFOZNC-QGZVFWFLSA-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