General Information of the Compound
| Compound ID |
CP0172896
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| Compound Name |
(S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
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| Structure |
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| Formula |
C25H23N3
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| Molecular Weight |
365.48
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| Canonical SMILES |
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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| InChIKey |
HECOADMZVNOEPY-SFHVURJKSA-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