General Information of the Compound
| Compound ID |
CP0508686
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| Compound Name |
CHEMBL2368261
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc12
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| InChI |
InChI=1S/C24H25N3O2/c1-26(2)17-12-16(13-17)21-14-25-22-8-7-15(11-20(21)22)9-10-27-23(28)18-5-3-4-6-19(18)24(27)29/h3-8,11,14,16-17,25H,9-10,12-13H2,1-2H3/t16-,17-
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| InChIKey |
DMYDUXUHAJAUDX-QAQDUYKDSA-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