General Information of the Compound
| Compound ID |
CP0421236
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| Compound Name |
3-(2-methoxyphenyl)-1'-prop-2-enylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
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| Structure |
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| Formula |
C25H21N3O3
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| Molecular Weight |
411.461
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| Canonical SMILES |
COc1ccccc1N1C(=O)c2ccccc2NC11C(=O)N(CC=C)c2ccccc12
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| InChI |
InChI=1S/C25H21N3O3/c1-3-16-27-20-13-7-5-11-18(20)25(24(27)30)26-19-12-6-4-10-17(19)23(29)28(25)21-14-8-9-15-22(21)31-2/h3-15,26H,1,16H2,2H3
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| InChIKey |
ICNRHSXEHSIYCI-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1