General Information of the Compound
| Compound ID |
CP0271224
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| Compound Name |
3-(cyclopropylmethyl)-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C21H25NO
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| Molecular Weight |
307.437
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| Canonical SMILES |
C(Oc1ccc2CCN(CC3CC3)CCc2c1)c1ccccc1
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| InChI |
InChI=1S/C21H25NO/c1-2-4-18(5-3-1)16-23-21-9-8-19-10-12-22(15-17-6-7-17)13-11-20(19)14-21/h1-5,8-9,14,17H,6-7,10-13,15-16H2
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| InChIKey |
AQRDKFVOYVDLCT-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