General Information of the Compound
| Compound ID |
CP0272372
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| Compound Name |
(2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]quinolin-1-yl-ethyl)-amine
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| Structure |
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| Formula |
C22H23N3
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| Molecular Weight |
329.447
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| Canonical SMILES |
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
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| InChI |
InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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| InChIKey |
XWFUGWXBKUSWFS-KRWDZBQOSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C