General Information of the Compound
| Compound ID |
CP0421232
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| Compound Name |
6-(3,5-dimethylpyrazol-1-yl)-4-N-phenyl-2-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C24H24N8
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| Molecular Weight |
424.512
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| Canonical SMILES |
C\C(\C=C\c1ccccc1)=N\Nc1nc(Nc2ccccc2)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C24H24N8/c1-17(14-15-20-10-6-4-7-11-20)29-30-23-26-22(25-21-12-8-5-9-13-21)27-24(28-23)32-19(3)16-18(2)31-32/h4-16H,1-3H3,(H2,25,26,27,28,30)/b15-14+,29-17-
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| InChIKey |
IGIZJMOCGLLQTO-MMJMHBKGSA-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