General Information of the Compound
| Compound ID |
CP0208485
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| Compound Name |
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
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| Structure |
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| Formula |
C25H24FN3
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| Molecular Weight |
385.486
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| Canonical SMILES |
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cccnc1
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| InChI |
InChI=1S/C25H24FN3/c1-28-13-10-18(11-14-28)24-17-29(22-7-5-21(26)6-8-22)25-9-4-19(15-23(24)25)20-3-2-12-27-16-20/h2-9,12,15-18H,10-11,13-14H2,1H3
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| InChIKey |
PBWACSBTKWIXDQ-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: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor