General Information of the Compound
| Compound ID |
CP0229896
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| Compound Name |
(E)-3-[4-[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C30H28FN5O4
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| Molecular Weight |
541.583
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1
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| InChI |
InChI=1S/C30H28FN5O4/c31-26-11-9-22(18-27-23-3-1-2-4-24(23)29(38)33-32-27)17-25(26)30(39)36-15-13-35(14-16-36)19-21-7-5-20(6-8-21)10-12-28(37)34-40/h1-12,17,40H,13-16,18-19H2,(H,33,38)(H,34,37)/b12-10+
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| InChIKey |
CEABYCITKOLZEE-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