General Information of the Compound
| Compound ID |
CP0428793
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| Compound Name |
1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C31H38N6O2
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| Molecular Weight |
526.685
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| Canonical SMILES |
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
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| InChI |
InChI=1S/C31H38N6O2/c1-34(16-20-37(30-9-5-6-14-32-30)24-25-10-12-27(39-2)13-11-25)15-17-35-18-21-36(22-19-35)31(38)29-23-26-7-3-4-8-28(26)33-29/h3-14,23,33H,15-22,24H2,1-2H3
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| InChIKey |
XUSZWVLIKIUVKA-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor