General Information of the Compound
| Compound ID |
CP0508202
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| Compound Name |
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(C1)NC(=O)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C25H29N3O2/c1-18(2)21-8-4-6-10-24(21)30-16-15-28-14-13-20(17-28)26-25(29)23-12-11-19-7-3-5-9-22(19)27-23/h3-12,18,20H,13-17H2,1-2H3,(H,26,29)
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| InChIKey |
IJEBNHPCKYYWBR-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor