General Information of the Compound
| Compound ID |
CP0880098
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| Compound Name |
trans-{2-[2-(6-Hydroxyhex-1-ynyl)phenyl]cyclopropyl}methylamine Hydrochloride
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| Structure |
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| Formula |
C16H22ClNO
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| Molecular Weight |
279.811
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| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO
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| InChI |
InChI=1S/C16H21NO.ClH/c17-12-14-11-16(14)15-9-5-4-8-13(15)7-3-1-2-6-10-18;/h4-5,8-9,14,16,18H,1-2,6,10-12,17H2;1H/t14-,16+;/m1./s1
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| InChIKey |
GHMWSEXOXIGBSO-XMZRARIVSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C