General Information of the Compound
| Compound ID |
CP0123095
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| Compound Name |
6-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C30H34ClN7O2
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| Molecular Weight |
560.102
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| Canonical SMILES |
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C30H34ClN7O2/c1-33-27-26(28(39)34(2)30(33)40)38-21-25(22-9-5-3-6-10-22)37(29(38)32-27)16-8-4-7-15-35-17-19-36(20-18-35)24-13-11-23(31)12-14-24/h3,5-6,9-14,21H,4,7-8,15-20H2,1-2H3
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| InChIKey |
VBTKDYSXDUNEIG-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor