General Information of the Compound
| Compound ID |
CP0438471
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| Compound Name |
N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C27H33N7O
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| Molecular Weight |
471.609
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| Canonical SMILES |
CN(C)C(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H33N7O/c1-31(2)27(35)26(21-7-4-3-5-8-21)33-15-13-32(14-16-33)12-6-9-22-18-28-25-11-10-23(17-24(22)25)34-19-29-30-20-34/h3-5,7-8,10-11,17-20,26,28H,6,9,12-16H2,1-2H3
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| InChIKey |
REKUVDSCKYARIH-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