General Information of the Compound
| Compound ID |
CP0458748
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| Compound Name |
N-(3-cyanophenyl)-3-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]propanamide
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| Structure |
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| Formula |
C29H25N7O
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| Molecular Weight |
487.567
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CCC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1
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| InChI |
InChI=1S/C29H25N7O/c1-18-6-4-9-26(31-18)29-24(22-10-11-25-27(15-22)33-20(3)19(2)32-25)17-36(35-29)13-12-28(37)34-23-8-5-7-21(14-23)16-30/h4-11,14-15,17H,12-13H2,1-3H3,(H,34,37)
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| InChIKey |
JDQLFTVLSSJWLX-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