General Information of the Compound
| Compound ID |
CP0424644
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| Compound Name |
4-{[(2,2-Dimethyl-propyl)-methyl-amino]-methyl}-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
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| Structure |
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| Formula |
C25H38N6O
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| Molecular Weight |
438.62
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| Canonical SMILES |
CN(CC(C)(C)C)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C25H38N6O/c1-24(2,3)16-29(4)17-25(32)9-12-30(13-10-25)11-5-6-20-15-26-23-8-7-21(14-22(20)23)31-18-27-28-19-31/h7-8,14-15,18-19,26,32H,5-6,9-13,16-17H2,1-4H3
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| InChIKey |
HGZLPEHBCUIZNN-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