General Information of the Compound
| Compound ID |
CP0422474
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| Compound Name |
4-fluoro-N-(3-{1-[12-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)dodecyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C52H62F2N6O2
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| Molecular Weight |
841.104
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
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| InChI |
InChI=1S/C52H62F2N6O2/c53-41-15-11-39(12-16-41)51(61)57-43-19-21-49-45(33-43)47(35-55-49)37-23-29-59(30-24-37)27-9-7-5-3-1-2-4-6-8-10-28-60-31-25-38(26-32-60)48-36-56-50-22-20-44(34-46(48)50)58-52(62)40-13-17-42(54)18-14-40/h11-22,33-38,55-56H,1-10,23-32H2,(H,57,61)(H,58,62)
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| InChIKey |
WMRPOZXPCANMRK-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