General Information of the Compound
| Compound ID |
CP0478961
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| Compound Name |
tert-butyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
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| Structure |
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| Formula |
C28H31FN4O4
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| Molecular Weight |
506.578
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CCN(C2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1
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| InChI |
InChI=1S/C28H31FN4O4/c1-27(2,3)37-26(36)33-13-11-28(17-33)10-12-32(16-28)25(35)21-14-18(8-9-22(21)29)15-23-19-6-4-5-7-20(19)24(34)31-30-23/h4-9,14H,10-13,15-17H2,1-3H3,(H,31,34)
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| InChIKey |
MOYOUBMGSIHZJF-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
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
Protein ID: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2