General Information of the Compound
| Compound ID |
CP0453890
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| Compound Name |
1-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-5-yl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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| Structure |
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| Formula |
C28H29FN6O
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| Molecular Weight |
484.579
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| Canonical SMILES |
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cncnc1
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| InChI |
InChI=1S/C28H29FN6O/c29-23-2-4-24(5-3-23)35-18-26(25-15-21(1-6-27(25)35)22-16-30-19-31-17-22)20-7-10-33(11-8-20)13-14-34-12-9-32-28(34)36/h1-6,15-20H,7-14H2,(H,32,36)
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| InChIKey |
IVQOPWPGYZWSKH-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