General Information of the Compound
| Compound ID |
CP0514551
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| Compound Name |
N-[4-[2-[methyl-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide
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| Structure |
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| Formula |
C29H37N7O
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| Molecular Weight |
499.663
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| Canonical SMILES |
CN(CCc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C29H37N7O/c1-22(37)33-25-7-5-23(6-8-25)11-15-34(2)26-12-16-35(17-13-26)14-3-4-24-19-30-29-10-9-27(18-28(24)29)36-20-31-32-21-36/h5-10,18-21,26,30H,3-4,11-17H2,1-2H3,(H,33,37)
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| InChIKey |
AYAPTOSOXFKYOK-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