General Information of the Compound
| Compound ID |
CP0382996
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| Compound Name |
CHEMBL350277
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| Formula |
C23H27N3O
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| Molecular Weight |
361.489
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC(=O)NCc3ccccc3)cc12
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| InChI |
InChI=1S/C23H27N3O/c1-26(2)19-12-18(13-19)21-15-24-22-9-8-17(10-20(21)22)11-23(27)25-14-16-6-4-3-5-7-16/h3-10,15,18-19,24H,11-14H2,1-2H3,(H,25,27)/t18-,19-
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| InChIKey |
HAELKXOQQMRYKK-WGSAOQKQSA-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