General Information of the Compound
| Compound ID |
CP0408431
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| Compound Name |
8-hydroxy-5-[4-[4-[3-[(E)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]oxybutyl]piperazin-1-yl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C25H28N6O4
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| Molecular Weight |
476.537
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| Canonical SMILES |
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4[nH]c(=O)ccc34)cc12
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| InChI |
InChI=1S/C25H28N6O4/c32-23-5-4-21(20-3-6-24(33)28-25(20)23)30-12-10-29(11-13-30)8-1-2-14-35-19-7-9-31-22(15-19)18(16-26-31)17-27-34/h3-7,9,15-17,32,34H,1-2,8,10-14H2,(H,28,33)/b27-17+
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| InChIKey |
KHNMKPXPIOAOHB-WPWMEQJKSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor