General Information of the Compound
| Compound ID |
CP0387642
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| Compound Name |
(6S)-6-[4-[3-[(Z)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]oxybutyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1
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| InChIKey |
MWAPGIGSNBMUAD-CCPXZDFDSA-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: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor