General Information of the Compound
| Compound ID |
CP0228522
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| Compound Name |
4-[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C28H26FN5O4
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| Molecular Weight |
515.545
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| Canonical SMILES |
ONC(=O)c1ccc(CN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1
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| InChI |
InChI=1S/C28H26FN5O4/c29-24-10-7-19(16-25-21-3-1-2-4-22(21)27(36)31-30-25)15-23(24)28(37)34-13-11-33(12-14-34)17-18-5-8-20(9-6-18)26(35)32-38/h1-10,15,38H,11-14,16-17H2,(H,31,36)(H,32,35)
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| InChIKey |
UYHSCMQSBJXZGX-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: PT01328, Poly [ADP-ribose] polymerase 2
Cell Viability or Cytotoxicity Assay