General Information of the Compound
| Compound ID |
CP0391016
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| Compound Name |
6-(2,4-dichlorobenzyl)-N-(3-(trifluoromethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H13Cl2F3N4
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| Molecular Weight |
437.252
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2ncnc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)c1
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| InChI |
InChI=1S/C20H13Cl2F3N4/c21-13-5-4-11(17(22)8-13)6-15-9-16-18(26-10-27-19(16)29-15)28-14-3-1-2-12(7-14)20(23,24)25/h1-5,7-10H,6H2,(H2,26,27,28,29)
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| InChIKey |
KREFSQWWLAZRAY-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