General Information of the Compound
| Compound ID |
CP0497724
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| Compound Name |
4-fluoro-N-(3-{1-[10-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)decyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C50H58F2N6O2
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| Molecular Weight |
813.05
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
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| InChI |
InChI=1S/C50H58F2N6O2/c51-39-13-9-37(10-14-39)49(59)55-41-17-19-47-43(31-41)45(33-53-47)35-21-27-57(28-22-35)25-7-5-3-1-2-4-6-8-26-58-29-23-36(24-30-58)46-34-54-48-20-18-42(32-44(46)48)56-50(60)38-11-15-40(52)16-12-38/h9-20,31-36,53-54H,1-8,21-30H2,(H,55,59)(H,56,60)
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| InChIKey |
YSVHRLXDIVLSIZ-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