General Information of the Compound
| Compound ID |
CP0468744
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| Compound Name |
[4-[3-[1-(4-cyanobenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H25N5O4S
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| Molecular Weight |
563.639
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| Canonical SMILES |
O=C(N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C31H25N5O4S/c32-18-22-4-6-24(7-5-22)31(37)35-16-13-26(14-17-35)36-21-34-20-29(36)23-8-10-27(11-9-23)40-41(38,39)30-3-1-2-25-19-33-15-12-28(25)30/h1-12,15,19-21,26H,13-14,16-17H2
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| InChIKey |
BZRIMXJWYBCORJ-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