General Information of the Compound
| Compound ID |
CP0468749
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| Compound Name |
[4-[3-[1-(4-nitrobenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C30H25N5O6S
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| Molecular Weight |
583.626
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C30H25N5O6S/c36-30(22-4-8-25(9-5-22)35(37)38)33-16-13-24(14-17-33)34-20-32-19-28(34)21-6-10-26(11-7-21)41-42(39,40)29-3-1-2-23-18-31-15-12-27(23)29/h1-12,15,18-20,24H,13-14,16-17H2
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| InChIKey |
YYJBEXMRTQXCSY-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