General Information of the Compound
| Compound ID |
CP0115745
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| Compound Name |
1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4-diaza-12-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonate
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| Synonyms |
1-(4-Fluoro-phenyl)-4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-butan-1-one tosylate salt
1-(4-fluorophenyl)-4-[(6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]butan-1-one toluenesulfonic acid
1187020-80-9
1187020-80-9 (tosylate)
CHEMBL3233142
CS-5540
Caplyta (TN)
D11170
HY-19733
ITI 007
ITI-007
ITI-007 tosylate
ITI007
JIE88N006O
Lumateperone tosylate (USAN)
Lumateperone tosylate [USAN]
Q27281520
SCHEMBL1769664
UNII-JIE88N006O
lumateperone (Tosylate)
lumateperone Tosylate
lumateperone tosylate
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| Structure |
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| Formula |
C31H36FN3O4S
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| Molecular Weight |
565.711
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| Canonical SMILES |
Cc1ccc(cc1)S([O-])(=O)=O.CN1CCN2[C@H]3CC[NH+](CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1
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| InChIKey |
LHAPOGAFBLSJJQ-GUTACTQSSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00957, D(2) dopamine receptor
Clinical Information about the Compound