General Information of the Compound
| Compound ID |
CP0457957
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| Compound Name |
4-[[3-[9-(cyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C29H31FN4O3
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| Molecular Weight |
502.59
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC2(CCN(CC2)C(=O)C2CC2)CC1
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| InChI |
InChI=1S/C29H31FN4O3/c30-24-8-5-19(18-25-21-3-1-2-4-22(21)26(35)32-31-25)17-23(24)28(37)34-15-11-29(12-16-34)9-13-33(14-10-29)27(36)20-6-7-20/h1-5,8,17,20H,6-7,9-16,18H2,(H,32,35)
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| InChIKey |
WNSCHUNLCBKWPT-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