General Information of the Compound
| Compound ID |
CP0351155
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| Compound Name |
4-[[4-fluoro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
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| Synonyms |
1(2H)-Phthalazinone, 4-((4-fluoro-3-((4-methoxy-1-piperidinyl)carbonyl)phenyl)methyl)-
1(2H)-Phthalazinone, 4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-
1174043-16-3
3K288XF5XJ
4-(4-Fluoro-3-((4-methoxypiperidin-1-yl)carbonyl)benzyl)phthalazin-1(2H)-one
4-(4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one
4-[4-Fluoro-3-[(4-methoxypiperidin-1-yl)carbonyl]benzyl]phthalazin-1(2H)-one
AZD 2461
AZD-2461
AZD2461
HYNBNUYQTQIHJK-UHFFFAOYSA-N
SCHEMBL77012
UNII-3K288XF5XJ
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| Structure |
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| Formula |
C22H22FN3O3
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| Molecular Weight |
395.434
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| Canonical SMILES |
COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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| InChI |
InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)
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| InChIKey |
HYNBNUYQTQIHJK-UHFFFAOYSA-N
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| CAS |
1174043-16-3
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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
Clinical Information about the Compound