General Information of the Compound
| Compound ID |
CP0497725
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| Compound Name |
4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)ethoxy]ethoxy}ethoxy)ethyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C48H54F2N6O5
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| Molecular Weight |
832.993
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
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| InChI |
InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)
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| InChIKey |
WBNRIXDAXMDBDQ-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D