General Information of the Compound
| Compound ID |
CP0483532
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| Compound Name |
[4-[3-[1-[4-(diethylamino)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C34H35N5O4S
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| Molecular Weight |
609.752
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C34H35N5O4S/c1-3-37(4-2)28-12-8-26(9-13-28)34(40)38-20-17-29(18-21-38)39-24-36-23-32(39)25-10-14-30(15-11-25)43-44(41,42)33-7-5-6-27-22-35-19-16-31(27)33/h5-16,19,22-24,29H,3-4,17-18,20-21H2,1-2H3
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| InChIKey |
QZPWRWQHKGMXOO-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