General Information of the Compound
| Compound ID |
CP0379361
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| Compound Name |
N,N-dimethyl-N'-[(E)-(1-naphthalen-1-ylsulfonyl-4-nitroindol-3-yl)methylideneamino]methanimidamide
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| Structure |
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| Formula |
C22H19N5O4S
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| Molecular Weight |
449.492
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| Canonical SMILES |
CN(C)\C=N\N=C\c1cn(c2cccc([N+]([O-])=O)c12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H19N5O4S/c1-25(2)15-24-23-13-17-14-26(19-10-6-11-20(22(17)19)27(28)29)32(30,31)21-12-5-8-16-7-3-4-9-18(16)21/h3-15H,1-2H3/b23-13+,24-15+
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| InChIKey |
MAHOFXYCPVJZAM-CLKIXKSOSA-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: PT01354, 5-hydroxytryptamine receptor 6