General Information of the Compound
| Compound ID |
CP0417455
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| Compound Name |
tert-butyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
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| Structure |
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| Formula |
C27H29FN4O4
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| Molecular Weight |
492.551
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2(C1)CCN(C2)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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| InChI |
InChI=1S/C27H29FN4O4/c1-26(2,3)36-25(35)32-15-27(16-32)10-11-31(14-27)24(34)20-12-17(8-9-21(20)28)13-22-18-6-4-5-7-19(18)23(33)30-29-22/h4-9,12H,10-11,13-16H2,1-3H3,(H,30,33)
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| InChIKey |
LMNMXSZEVASZMR-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