General Information of the Compound
| Compound ID |
CP0501934
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| Compound Name |
4-fluoro-N-(3-{1-[3-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)propyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C43H44F2N6O2
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| Molecular Weight |
714.861
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
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| InChI |
InChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)
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| InChIKey |
PZZMVKASPNMPKJ-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