General Information of the Compound
| Compound ID |
CP0538790
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| Compound Name |
4-[[3-[6-(cyclopropanecarbonyl)-1,6-diazaspiro[3.3]heptane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C25H23FN4O3
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| Molecular Weight |
446.482
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC11CN(C1)C(=O)C1CC1
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| InChI |
InChI=1S/C25H23FN4O3/c26-20-8-5-15(12-21-17-3-1-2-4-18(17)22(31)28-27-21)11-19(20)24(33)30-10-9-25(30)13-29(14-25)23(32)16-6-7-16/h1-5,8,11,16H,6-7,9-10,12-14H2,(H,28,31)
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| InChIKey |
WSTKPUAPFCQLTL-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