General Information of the Compound
| Compound ID |
CP0477179
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| Compound Name |
2-chloro-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 |
C23H26Cl3N5
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| Molecular Weight |
478.855
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| Canonical SMILES |
Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1
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| InChI |
InChI=1S/C23H26Cl3N5/c24-19-5-4-6-20(25)18(19)15-31-14-9-17-21(27-23(26)28-22(17)31)30-12-7-16(8-13-30)29-10-2-1-3-11-29/h4-6,9,14,16H,1-3,7-8,10-13,15H2
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| InChIKey |
BFHSUTRNNIQMRZ-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