General Information of the Compound
| Compound ID |
CP0415746
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| Compound Name |
4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]butyl]benzoic acid
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| Structure |
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| Formula |
C29H33NO3
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| Molecular Weight |
443.587
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| Canonical SMILES |
OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32)
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| InChIKey |
UURQFLKKSYYPEF-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: PT00897, Potassium voltage-gated channel subfamily H member 2