General Information of the Compound
| Compound ID |
CP0720028
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| Compound Name |
(+)-((1S,2S)-2-(2-(allyloxy)-5-chlorophenyl)cyclopropyl)methanamine trifluoroacetate
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| Structure |
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| Formula |
C15H17ClF3NO3
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| Molecular Weight |
351.752
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| Canonical SMILES |
C=CCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C13H16ClNO.C2HF3O2/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;3-2(4,5)1(6)7/h2-4,7,9,11H,1,5-6,8,15H2;(H,6,7)/t9-,11+;/m1./s1
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| InChIKey |
BVQUTZSFPJRZCS-XQKZEKTMSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2