General Information of the Compound
| Compound ID |
CP0428117
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| Compound Name |
3-(1-methylpiperidin-4-yl)-5-pyridin-3-yl-1-pyridin-4-ylindole
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| Structure |
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| Formula |
C24H24N4
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| Molecular Weight |
368.484
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| Canonical SMILES |
CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1cccnc1
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| InChI |
InChI=1S/C24H24N4/c1-27-13-8-18(9-14-27)23-17-28(21-6-11-25-12-7-21)24-5-4-19(15-22(23)24)20-3-2-10-26-16-20/h2-7,10-12,15-18H,8-9,13-14H2,1H3
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| InChIKey |
VECJPOGHJKAQGZ-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