General Information of the Compound
| Compound ID |
CP0438472
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| Compound Name |
N-methyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
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| Structure |
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| Formula |
C26H33N7
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| Molecular Weight |
443.599
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| Canonical SMILES |
CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H33N7/c1-27-18-26(21-6-3-2-4-7-21)32-14-12-31(13-15-32)11-5-8-22-17-28-25-10-9-23(16-24(22)25)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,26-28H,5,8,11-15,18H2,1H3
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| InChIKey |
QWIGHXLBCAYGOR-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