General Information of the Compound
| Compound ID |
CP0464787
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| Compound Name |
Allyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
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| Structure |
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| Formula |
C22H30N6
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| Molecular Weight |
378.524
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| Canonical SMILES |
CN(CC=C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C22H30N6/c1-3-10-26(2)19-8-12-27(13-9-19)11-4-5-18-15-23-22-7-6-20(14-21(18)22)28-16-24-25-17-28/h3,6-7,14-17,19,23H,1,4-5,8-13H2,2H3
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| InChIKey |
SRZNBUCHXJTXRC-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