General Information of the Compound
| Compound ID |
CP0734983
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| Compound Name |
Dimethyl-(2,3,3a,8-tetrahydro-1-oxa-12b-aza-dibenzo[e,h]azulen-2-ylmethyl)-amine
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1
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| InChI |
InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3
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| InChIKey |
BTSCZNWXJQSJIE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor