General Information of the Compound
| Compound ID |
CP0481994
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| Compound Name |
tert-butyl 9-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
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| Structure |
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| Formula |
C30H35FN4O4
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| Molecular Weight |
534.632
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(CC2)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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| InChI |
InChI=1S/C30H35FN4O4/c1-29(2,3)39-28(38)35-16-12-30(13-17-35)10-14-34(15-11-30)27(37)23-18-20(8-9-24(23)31)19-25-21-6-4-5-7-22(21)26(36)33-32-25/h4-9,18H,10-17,19H2,1-3H3,(H,33,36)
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| InChIKey |
QGMDXYVOQGGEII-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