General Information of the Compound
| Compound ID |
CP0156782
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| Compound Name |
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
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| Structure |
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| Formula |
C23H24FN5
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| Molecular Weight |
389.478
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| Canonical SMILES |
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1ncn(C)n1
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| InChI |
InChI=1S/C23H24FN5/c1-27-11-9-16(10-12-27)21-14-29(19-6-4-18(24)5-7-19)22-8-3-17(13-20(21)22)23-25-15-28(2)26-23/h3-8,13-16H,9-12H2,1-2H3
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| InChIKey |
QHNXJRSEHMJHRM-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: PT01849, Alpha-1B adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor