General Information of the Compound
| Compound ID |
CP0374352
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| Compound Name |
CHEMBL159470
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C22H25N3O/c1-25(2)18-10-17(11-18)20-14-23-21-9-8-16(12-19(20)21)22(26)24-13-15-6-4-3-5-7-15/h3-9,12,14,17-18,23H,10-11,13H2,1-2H3,(H,24,26)/t17-,18-
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| InChIKey |
GCMJIDLORVWRLW-IYARVYRRSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D