General Information of the Compound
| Compound ID |
CP0376955
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| Compound Name |
2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-[1,4']bipiperidinyl
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| Structure |
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| Formula |
C29H36N6
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| Molecular Weight |
468.649
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| Canonical SMILES |
C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C29H36N6/c1-2-7-23(8-3-1)29-10-4-5-16-35(29)25-13-17-33(18-14-25)15-6-9-24-20-30-28-12-11-26(19-27(24)28)34-21-31-32-22-34/h1-3,7-8,11-12,19-22,25,29-30H,4-6,9-10,13-18H2
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| InChIKey |
WGWBIIDCWJHIOA-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