General Information of the Compound
| Compound ID |
CP0391158
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| Compound Name |
3-(cyclopropylmethyl)-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C22H34N2O
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| Molecular Weight |
342.527
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| Canonical SMILES |
C(COc1ccc2CCN(CC3CC3)CCc2c1)CN1CCCCC1
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| InChI |
InChI=1S/C22H34N2O/c1-2-11-23(12-3-1)13-4-16-25-22-8-7-20-9-14-24(18-19-5-6-19)15-10-21(20)17-22/h7-8,17,19H,1-6,9-16,18H2
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| InChIKey |
FVUHMXKJJTVQKK-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: PT01194, Histamine H3 receptor