General Information of the Compound
| Compound ID |
CP0309911
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| Compound Name |
5-Methyl-2-[3-(4-nitro-phenoxy)-propyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
Cn1c2CCN(CCCOc3ccc(cc3)[N+]([O-])=O)Cc2c2ccccc12
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| InChI |
InChI=1S/C21H23N3O3/c1-22-20-6-3-2-5-18(20)19-15-23(13-11-21(19)22)12-4-14-27-17-9-7-16(8-10-17)24(25)26/h2-3,5-10H,4,11-15H2,1H3
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| InChIKey |
AGLZDATUFHWVOH-UHFFFAOYSA-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C