General Information of the Compound
| Compound ID |
CP0391012
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| Compound Name |
6-[(2,4-dichlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H14Cl2F3N5
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| Molecular Weight |
452.267
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| Canonical SMILES |
Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
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| InChI |
InChI=1S/C20H14Cl2F3N5/c21-12-5-4-10(16(22)8-12)6-14-9-15-17(29-19(26)30-18(15)28-14)27-13-3-1-2-11(7-13)20(23,24)25/h1-5,7-9H,6H2,(H4,26,27,28,29,30)
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| InChIKey |
ATDJLDZCOSGBPH-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