General Information of the Compound
| Compound ID |
CP0389557
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| Compound Name |
tert-butyl 2-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
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| Structure |
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| Formula |
C29H33FN4O4
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| Molecular Weight |
520.605
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CCN(C2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
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| InChI |
InChI=1S/C29H33FN4O4/c1-28(2,3)38-27(37)33-13-10-29(11-14-33)12-15-34(18-29)26(36)22-16-19(8-9-23(22)30)17-24-20-6-4-5-7-21(20)25(35)32-31-24/h4-9,16H,10-15,17-18H2,1-3H3,(H,32,35)
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| InChIKey |
SLBUZTZXRPRDNX-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