General Information of the Compound
| Compound ID |
CP0337966
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| Compound Name |
4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
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| Structure |
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| Formula |
C22H19FN4O
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| Molecular Weight |
374.419
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| Canonical SMILES |
Fc1cccc(c1)-c1cc2-c3[nH]c4c(c3CCc2cn1)C(=O)NCC41CNC1
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| InChI |
InChI=1S/C22H19FN4O/c23-14-3-1-2-12(6-14)17-7-16-13(8-25-17)4-5-15-18-20(27-19(15)16)22(9-24-10-22)11-26-21(18)28/h1-3,6-8,24,27H,4-5,9-11H2,(H,26,28)
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| InChIKey |
IRRXSIKWWQZKJR-UHFFFAOYSA-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