General Information of the Compound
| Compound ID |
CP0518789
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| Compound Name |
4-[[3-[8-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C28H29FN4O3
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| Molecular Weight |
488.563
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC2(C1)CCN(CC2)C(=O)C1CC1
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| InChI |
InChI=1S/C28H29FN4O3/c29-23-8-5-18(16-24-20-3-1-2-4-21(20)25(34)31-30-24)15-22(23)27(36)33-14-11-28(17-33)9-12-32(13-10-28)26(35)19-6-7-19/h1-5,8,15,19H,6-7,9-14,16-17H2,(H,31,34)
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| InChIKey |
DPRULNDJHOQGBN-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