General Information of the Compound
| Compound ID |
CP0441753
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| Compound Name |
4-(3,3-Dimethyl-piperidin-1-ylmethyl)-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 |
C26H38N6O
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| Molecular Weight |
450.631
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| Canonical SMILES |
CC1(C)CCCN(CC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)C1
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| InChI |
InChI=1S/C26H38N6O/c1-25(2)8-4-12-31(17-25)18-26(33)9-13-30(14-10-26)11-3-5-21-16-27-24-7-6-22(15-23(21)24)32-19-28-29-20-32/h6-7,15-16,19-20,27,33H,3-5,8-14,17-18H2,1-2H3
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| InChIKey |
MAVFEMPEBAOCIQ-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