General Information of the Compound
| Compound ID |
CP0389553
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| Compound Name |
4-[[3-[2-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C26H25FN4O3
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| Molecular Weight |
460.509
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC2(CN(C2)C(=O)C2CC2)C1
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| InChI |
InChI=1S/C26H25FN4O3/c27-21-8-5-16(12-22-18-3-1-2-4-19(18)23(32)29-28-22)11-20(21)25(34)30-10-9-26(13-30)14-31(15-26)24(33)17-6-7-17/h1-5,8,11,17H,6-7,9-10,12-15H2,(H,29,32)
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| InChIKey |
ABOHNRREIXUDIK-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