General Information of the Compound
| Compound ID |
CP0425349
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| Compound Name |
4-fluoro-N-{3-[1-({3-[(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)methyl]phenyl}methyl)piperidin-4-yl]-1H-indol-5-yl}benzamide
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| Structure |
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| Formula |
C48H46F2N6O2
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| Molecular Weight |
776.932
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(CC5)c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)c4)CC3)c2c1
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| InChI |
InChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58)
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| InChIKey |
FYMYEYOPWYBNKY-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