General Information of the Compound
| Compound ID |
CP0525012
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| Compound Name |
3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C21H32N2O
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| Molecular Weight |
328.5
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| Canonical SMILES |
C(CN1CCCCC1)Oc1ccc2CCN(CC3CC3)CCc2c1
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| InChI |
InChI=1S/C21H32N2O/c1-2-10-22(11-3-1)14-15-24-21-7-6-19-8-12-23(17-18-4-5-18)13-9-20(19)16-21/h6-7,16,18H,1-5,8-15,17H2
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| InChIKey |
VSGRIQNOEXFJLL-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