General Information of the Compound
| Compound ID |
CP0373428
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| Compound Name |
5-tert-butyl-6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C18H20ClN3O
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| Molecular Weight |
329.831
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| Canonical SMILES |
CC(C)(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
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| InChI |
InChI=1S/C18H20ClN3O/c1-18(2,3)14-9-12-6-8-22(16(12)10-15(14)19)17(23)21-13-5-4-7-20-11-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,21,23)
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| InChIKey |
NJCWASKCTHVLLT-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C