General Information of the Compound
| Compound ID |
CP0420688
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| Compound Name |
[4-[[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H28FN5O5S
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| Molecular Weight |
601.66
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| Canonical SMILES |
Fc1ccc(CN2CCN(CC2)c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)cc1
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| InChI |
InChI=1S/C31H28FN5O5S/c32-25-8-4-22(5-9-25)20-35-14-16-36(17-15-35)30-18-29(38)34-31(39)37(30)21-23-6-10-26(11-7-23)42-43(40,41)28-3-1-2-24-19-33-13-12-27(24)28/h1-13,18-19H,14-17,20-21H2,(H,34,38,39)
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| InChIKey |
NMZNVRLHDXQARL-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