General Information of the Compound
| Compound ID |
CP0435627
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| Compound Name |
2-chloro-7-[(4-chlorophenyl)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 |
Clc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C23H27Cl2N5/c24-18-6-4-17(5-7-18)16-30-15-10-20-21(26-23(25)27-22(20)30)29-13-8-19(9-14-29)28-11-2-1-3-12-28/h4-7,10,15,19H,1-3,8-9,11-14,16H2
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| InChIKey |
JLNYNWPTCQBJMM-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