General Information of the Compound
| Compound ID |
CP0453508
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| Compound Name |
4-[2-(4-{3-[(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carbonyl)-amino]-propyl}-piperazin-1-yl)-phenoxymethyl]-2-oxy-furazan-3-carboxylic acid amide
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| Structure |
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| Formula |
C34H34N6O7
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| Molecular Weight |
638.681
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| Canonical SMILES |
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
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| InChI |
InChI=1S/C34H34N6O7/c1-22-30(41)24-11-7-12-25(32(24)46-31(22)23-9-3-2-4-10-23)34(43)36-15-8-16-38-17-19-39(20-18-38)27-13-5-6-14-28(27)45-21-26-29(33(35)42)40(44)47-37-26/h2-7,9-14H,8,15-21H2,1H3,(H2,35,42)(H,36,43)
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| InChIKey |
UYZCRXKULSDXTA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor