General Information of the Compound
Compound ID |
CP0480362
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Compound Name |
(1S)-14-ethyl-5-methoxy-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
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Structure |
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Formula |
C18H21NO2S
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Molecular Weight |
315.438
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Canonical SMILES |
CCc1cc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2s1
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InChI |
InChI=1S/C18H21NO2S/c1-3-13-6-12-10-19-5-4-11-7-17(21-2)16(20)8-14(11)15(19)9-18(12)22-13/h6-8,15,20H,3-5,9-10H2,1-2H3/t15-/m0/s1
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InChIKey |
WCXYNCOEJKTKIB-HNNXBMFYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor