General Information of the Compound
| Compound ID |
CP0502188
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| Compound Name |
4-[(2,2-Dimethyl-propylamino)-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 |
C24H36N6O
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| Molecular Weight |
424.593
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| Canonical SMILES |
CC(C)(C)CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C24H36N6O/c1-23(2,3)15-25-16-24(31)8-11-29(12-9-24)10-4-5-19-14-26-22-7-6-20(13-21(19)22)30-17-27-28-18-30/h6-7,13-14,17-18,25-26,31H,4-5,8-12,15-16H2,1-3H3
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| InChIKey |
VKYQXKQEYOUENX-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