General Information of the Compound
| Compound ID |
CP0236214
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| Compound Name |
2-fluoro-N-[2-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]ethyl]-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C27H23FN4O4
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| Molecular Weight |
486.503
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1
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| InChI |
InChI=1S/C27H23FN4O4/c28-23-11-9-19(16-24-20-3-1-2-4-21(20)27(35)31-30-24)15-22(23)26(34)29-14-13-18-7-5-17(6-8-18)10-12-25(33)32-36/h1-12,15,36H,13-14,16H2,(H,29,34)(H,31,35)(H,32,33)/b12-10+
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| InChIKey |
LXCLGXFJSUMMJY-ZRDIBKRKSA-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