General Information of the Compound
| Compound ID |
CP0576367
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| Compound Name |
[4-[3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C32H31N5O4S
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| Molecular Weight |
581.698
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| Canonical SMILES |
CN(C)c1cccc(c1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C32H31N5O4S/c1-35(2)27-7-3-5-24(19-27)32(38)36-17-14-26(15-18-36)37-22-34-21-30(37)23-9-11-28(12-10-23)41-42(39,40)31-8-4-6-25-20-33-16-13-29(25)31/h3-13,16,19-22,26H,14-15,17-18H2,1-2H3
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| InChIKey |
DCVTVEBYIOUTIV-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