General Information of the Compound
| Compound ID |
CP0912297
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| Compound Name |
trans-[2-(3-Ethynylphenyl)cyclopropyl]methylamine Hydrochloride
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| Structure |
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| Formula |
C12H14ClN
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| Molecular Weight |
207.704
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| Canonical SMILES |
C#Cc1cccc([C@H]2C[C@@H]2CN)c1.Cl
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| InChI |
InChI=1S/C12H13N.ClH/c1-2-9-4-3-5-10(6-9)12-7-11(12)8-13;/h1,3-6,11-12H,7-8,13H2;1H/t11-,12-;/m1./s1
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| InChIKey |
ZMXHZUNYGHHQSC-MNMPKAIFSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C