General Information of the Compound
| Compound ID |
CP0481983
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| Compound Name |
4-[[3-(1-azaspiro[3.5]nonane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C24H24FN3O2
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| Molecular Weight |
405.473
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC11CCCCC1
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| InChI |
InChI=1S/C24H24FN3O2/c25-20-9-8-16(15-21-17-6-2-3-7-18(17)22(29)27-26-21)14-19(20)23(30)28-13-12-24(28)10-4-1-5-11-24/h2-3,6-9,14H,1,4-5,10-13,15H2,(H,27,29)
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| InChIKey |
ZCDZPWJYQAZKED-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