General Information of the Compound
| Compound ID |
CP0409363
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| Compound Name |
N-[4-[[methyl-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H35N7O
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| Molecular Weight |
485.636
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| Canonical SMILES |
CN(Cc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C28H35N7O/c1-21(36)32-24-7-5-22(6-8-24)18-33(2)25-11-14-34(15-12-25)13-3-4-23-17-29-28-10-9-26(16-27(23)28)35-19-30-31-20-35/h5-10,16-17,19-20,25,29H,3-4,11-15,18H2,1-2H3,(H,32,36)
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| InChIKey |
LRNNTEHAIWGXNI-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