General Information of the Compound
| Compound ID |
CP0478962
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| Compound Name |
4-[[3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C27H27FN4O3
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| Molecular Weight |
474.536
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CC2(C1)CCN(CC2)C(=O)C1CC1
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| InChI |
InChI=1S/C27H27FN4O3/c28-22-8-5-17(14-23-19-3-1-2-4-20(19)24(33)30-29-23)13-21(22)26(35)32-15-27(16-32)9-11-31(12-10-27)25(34)18-6-7-18/h1-5,8,13,18H,6-7,9-12,14-16H2,(H,30,33)
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| InChIKey |
DZHLUKAKWQNXMK-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