General Information of the Compound
| Compound ID |
CP0381322
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| Compound Name |
1-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H27N7O
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| Molecular Weight |
441.539
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C25H27N7O/c33-25-29-23-5-1-2-6-24(23)32(25)19-9-12-30(13-10-19)11-3-4-18-15-26-22-8-7-20(14-21(18)22)31-16-27-28-17-31/h1-2,5-8,14-17,19,26H,3-4,9-13H2,(H,29,33)
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| InChIKey |
SKKUDEQDDXAAON-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