General Information of the Compound
| Compound ID |
CP0489907
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| Compound Name |
3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole
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| Structure |
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| Formula |
C23H23N5
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| Molecular Weight |
369.472
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| Canonical SMILES |
CN1CCC(CC1)c1cn(-c2ccncc2)c2ccc(cc12)-c1cncnc1
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| InChI |
InChI=1S/C23H23N5/c1-27-10-6-17(7-11-27)22-15-28(20-4-8-24-9-5-20)23-3-2-18(12-21(22)23)19-13-25-16-26-14-19/h2-5,8-9,12-17H,6-7,10-11H2,1H3
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| InChIKey |
OMRFHGXPJWNBFO-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