General Information of the Compound
| Compound ID |
CP0392710
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| Compound Name |
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2H-[1,2,3]triazol-4-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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| Structure |
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| Formula |
C26H28FN7O
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| Molecular Weight |
473.556
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| Canonical SMILES |
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1c[nH]nn1
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| InChI |
InChI=1S/C26H28FN7O/c27-20-2-4-21(5-3-20)34-17-23(22-15-19(1-6-25(22)34)24-16-29-31-30-24)18-7-10-32(11-8-18)13-14-33-12-9-28-26(33)35/h1-6,15-18H,7-14H2,(H,28,35)(H,29,30,31)
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| InChIKey |
TZCZMKAONNBNIA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C