General Information of the Compound
| Compound ID |
CP0458293
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| Compound Name |
8-hydroxy-5-[4-(4-pyrazolo[1,5-a]pyridin-5-yloxybutyl)-1,4-diazepan-1-yl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12
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| InChI |
InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)
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| InChIKey |
TYDUDPVGSUDIDV-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor