General Information of the Compound
| Compound ID |
CP0496431
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| Compound Name |
5-amino-7-fluoro-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C22H24F2N4O
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| Molecular Weight |
398.457
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| Canonical SMILES |
Nc1cc(F)cc2c1cc(CCCN1CCN(CC1)c1ccc(F)cc1)[nH]c2=O
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| InChI |
InChI=1S/C22H24F2N4O/c23-15-3-5-18(6-4-15)28-10-8-27(9-11-28)7-1-2-17-14-19-20(22(29)26-17)12-16(24)13-21(19)25/h3-6,12-14H,1-2,7-11,25H2,(H,26,29)
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| InChIKey |
ZCZXHBMPYFPNQW-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