General Information of the Compound
| Compound ID |
CP0374738
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| Compound Name |
(S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
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| Synonyms |
BDBM50144846
CHEMBL76474
LS-193648
SCHEMBL10199665
VER-5593
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| Structure |
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| Formula |
C12H17FN2S
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| Molecular Weight |
240.347
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| Canonical SMILES |
CSc1cc2N(C[C@H](C)N)CCc2cc1F
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| InChI |
InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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| InChIKey |
IGAAICGMRRWZJW-QMMMGPOBSA-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
Clinical Information about the Compound