General Information of the Compound
| Compound ID |
CP0451117
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| Compound Name |
[4-[[6-[4-(4-nitrobenzoyl)piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H26N6O8S
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| Molecular Weight |
642.65
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C31H26N6O8S/c38-28-18-29(34-14-16-35(17-15-34)30(39)22-6-8-24(9-7-22)37(41)42)36(31(40)33-28)20-21-4-10-25(11-5-21)45-46(43,44)27-3-1-2-23-19-32-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,33,38,40)
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| InChIKey |
BQWAXBJBNBKJNE-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