General Information of the Compound
| Compound ID |
CP0538791
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| Compound Name |
4-[[4-fluoro-3-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C21H18FN3O3
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| Molecular Weight |
379.391
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CC2(COC2)C1
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| InChI |
InChI=1S/C21H18FN3O3/c22-17-6-5-13(7-16(17)20(27)25-9-21(10-25)11-28-12-21)8-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-7H,8-12H2,(H,24,26)
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| InChIKey |
XGCWPAJMWZAIBV-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