General Information of the Compound
| Compound ID |
CP0023724
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| Compound Name |
N-(2,4-dimethoxyphenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
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| Structure |
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| Formula |
C20H18F3N5O2
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| Molecular Weight |
417.391
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| Canonical SMILES |
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn(C)nc2C(F)(F)F)c(OC)c1
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| InChI |
InChI=1S/C20H18F3N5O2/c1-28-10-13(19(27-28)20(21,22)23)16-6-11-9-24-18(8-15(11)25-16)26-14-5-4-12(29-2)7-17(14)30-3/h4-10,25H,1-3H3,(H,24,26)
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| InChIKey |
YXZKAOHYFKVRAT-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