General Information of the Compound
| Compound ID |
CP0519917
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| Compound Name |
tert-butyl 6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
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| Structure |
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| Formula |
C26H27FN4O4
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| Molecular Weight |
478.524
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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| InChI |
InChI=1S/C26H27FN4O4/c1-25(2,3)35-24(34)31-14-26(15-31)12-30(13-26)23(33)19-10-16(8-9-20(19)27)11-21-17-6-4-5-7-18(17)22(32)29-28-21/h4-10H,11-15H2,1-3H3,(H,29,32)
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| InChIKey |
BJNFZLBFEJFICR-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