General Information of the Compound
| Compound ID |
CP0548781
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| Compound Name |
4-[[3-(3-azaspiro[5.5]undecane-3-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC2(CCCCC2)CC1
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| InChI |
InChI=1S/C26H28FN3O2/c27-22-9-8-18(17-23-19-6-2-3-7-20(19)24(31)29-28-23)16-21(22)25(32)30-14-12-26(13-15-30)10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15,17H2,(H,29,31)
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| InChIKey |
PICNYQSZNYVSEU-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