General Information of the Compound
| Compound ID |
CP0034918
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| Compound Name |
(S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
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| Structure |
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| Formula |
C21H20ClN3
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| Molecular Weight |
349.865
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| Canonical SMILES |
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
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| InChI |
InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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| InChIKey |
DRERWZQTMBLMNH-HNNXBMFYSA-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