General Information of the Compound
| Compound ID |
CP0481992
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| Compound Name |
4-[[3-(1-azaspiro[3.3]heptane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C22H20FN3O2
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| Molecular Weight |
377.419
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC11CCC1
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| InChI |
InChI=1S/C22H20FN3O2/c23-18-7-6-14(12-17(18)21(28)26-11-10-22(26)8-3-9-22)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12H,3,8-11,13H2,(H,25,27)
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| InChIKey |
NETZKQOCJTVMQH-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