General Information of the Compound
| Compound ID |
CP0434955
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| Compound Name |
CHEMBL521022
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H](CC2)N2CCCC2)cc1
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| InChI |
InChI=1S/C25H29N3O2/c1-18-26-24-7-3-2-6-23(24)25(29)28(18)20-10-14-22(15-11-20)30-21-12-8-19(9-13-21)27-16-4-5-17-27/h2-3,6-7,10-11,14-15,19,21H,4-5,8-9,12-13,16-17H2,1H3/t19-,21+
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| InChIKey |
OXYRVSPLWYNARN-TYKWCNGQSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2