General Information of the Compound
| Compound ID |
CP0389792
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| Compound Name |
[4-[3-[1-[4-(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)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3
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| InChIKey |
HZABZKYZDQPWMV-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
Protein ID: PT03393, P2X purinoceptor 3
Protein ID: PT01449, P2X purinoceptor 7