General Information of the Compound
| Compound ID |
CP0474568
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| Compound Name |
[4-[[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H26ClN5O6S
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| Molecular Weight |
632.098
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C31H26ClN5O6S/c32-24-5-1-3-22(17-24)30(39)36-15-13-35(14-16-36)29-18-28(38)34-31(40)37(29)20-21-7-9-25(10-8-21)43-44(41,42)27-6-2-4-23-19-33-12-11-26(23)27/h1-12,17-19H,13-16,20H2,(H,34,38,40)
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| InChIKey |
QDCZWZFBYTUVIZ-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