General Information of the Compound
| Compound ID |
CP0405595
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| Compound Name |
N-methyl-N-(4-methylpent-3-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H36N6
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| Molecular Weight |
420.605
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| Canonical SMILES |
CN(CCC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C25H36N6/c1-20(2)6-4-12-29(3)22-10-14-30(15-11-22)13-5-7-21-17-26-25-9-8-23(16-24(21)25)31-18-27-28-19-31/h6,8-9,16-19,22,26H,4-5,7,10-15H2,1-3H3
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| InChIKey |
FNCSEFKHEOBIBT-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