General Information of the Compound
| Compound ID |
CP0457270
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| Compound Name |
[5-fluoro-2-(triazol-2-yl)phenyl]-[(1R,6S)-8-quinoxalin-2-yl-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
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| Structure |
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| Formula |
C23H20FN7O
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| Molecular Weight |
429.459
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| Canonical SMILES |
Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1cnc2ccccc2n1)-n1nccn1
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| InChI |
InChI=1S/C23H20FN7O/c24-16-5-6-20(31-26-8-9-27-31)17(11-16)23(32)29-10-7-15-13-30(21(15)14-29)22-12-25-18-3-1-2-4-19(18)28-22/h1-6,8-9,11-12,15,21H,7,10,13-14H2/t15-,21-/m0/s1
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| InChIKey |
UOFXNRKZCLVAQG-BTYIYWSLSA-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