General Information of the Compound
| Compound ID |
CP0859083
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| Compound Name |
(+)-((1S,2S)-2-(5-chloro-2-(2,2-difluoroethoxy)phenyl)cyclopropyl)methanamine hydrochloride
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| Structure |
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| Formula |
C12H15Cl2F2NO
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| Molecular Weight |
298.16
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| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)F
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| InChI |
InChI=1S/C12H14ClF2NO.ClH/c13-8-1-2-11(17-6-12(14)15)10(4-8)9-3-7(9)5-16;/h1-2,4,7,9,12H,3,5-6,16H2;1H/t7-,9+;/m1./s1
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| InChIKey |
USCGTJANXHQSTR-JXLXBRSFSA-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