General Information of the Compound
| Compound ID |
CP0420921
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| Compound Name |
4-Acetylamino-N-methyl-N-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-benzamide
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| Structure |
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| Formula |
C29H35N7O2
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| Molecular Weight |
513.646
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| Canonical SMILES |
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C29H35N7O2/c1-21(37)33-25-7-5-23(6-8-25)29(38)34(2)18-22-11-14-35(15-12-22)13-3-4-24-17-30-28-10-9-26(16-27(24)28)36-19-31-32-20-36/h5-10,16-17,19-20,22,30H,3-4,11-15,18H2,1-2H3,(H,33,37)
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| InChIKey |
FJPITHOUZFAITB-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