General Information of the Compound
| Compound ID |
CP0414658
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| Compound Name |
N'-[(E)-[1-(2,5-dimethoxyphenyl)sulfonyl-4-nitroindol-3-yl]methylideneamino]-N,N-dimethylmethanimidamide
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| Structure |
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| Formula |
C20H21N5O6S
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| Molecular Weight |
459.484
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| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)n1cc(\C=N\N=C\N(C)C)c2c(cccc12)[N+]([O-])=O
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| InChI |
InChI=1S/C20H21N5O6S/c1-23(2)13-22-21-11-14-12-24(16-6-5-7-17(20(14)16)25(26)27)32(28,29)19-10-15(30-3)8-9-18(19)31-4/h5-13H,1-4H3/b21-11+,22-13+
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| InChIKey |
PZTYDECAEFZEHV-ZGRPYONQSA-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