General Information of the Compound
| Compound ID |
CP0575410
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| Compound Name |
7-[(2,6-dichlorophenyl)methyl]-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C23H27Cl2N5
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| Molecular Weight |
444.41
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| Canonical SMILES |
Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C23H27Cl2N5/c24-20-5-4-6-21(25)19(20)15-30-14-9-18-22(26-16-27-23(18)30)29-12-7-17(8-13-29)28-10-2-1-3-11-28/h4-6,9,14,16-17H,1-3,7-8,10-13,15H2
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| InChIKey |
GBQRNDSLOGBCSM-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor