General Information of the Compound
| Compound ID |
CP0379360
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| Compound Name |
N,N-dimethyl-N'-[(E)-[1-(4-methylphenyl)sulfonyl-4-nitroindol-3-yl]methylideneamino]methanimidamide
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| Structure |
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| Formula |
C19H19N5O4S
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| Molecular Weight |
413.459
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| Canonical SMILES |
CN(C)\C=N\N=C\c1cn(c2cccc([N+]([O-])=O)c12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H19N5O4S/c1-14-7-9-16(10-8-14)29(27,28)23-12-15(11-20-21-13-22(2)3)19-17(23)5-4-6-18(19)24(25)26/h4-13H,1-3H3/b20-11+,21-13+
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| InChIKey |
WDBVJENEMCPSQN-VZLKJUJQSA-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: PT01354, 5-hydroxytryptamine receptor 6