General Information of the Compound
| Compound ID |
CP0401108
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| Compound Name |
4-N-(4-chloro-2-fluorophenyl)-6-[(2,5-dimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H19ClFN5O2
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| Molecular Weight |
427.867
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| Canonical SMILES |
COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4F)nc(N)nc3[nH]2)c1
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| InChI |
InChI=1S/C21H19ClFN5O2/c1-29-14-4-6-18(30-2)11(8-14)7-13-10-15-19(25-13)27-21(24)28-20(15)26-17-5-3-12(22)9-16(17)23/h3-6,8-10H,7H2,1-2H3,(H4,24,25,26,27,28)
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| InChIKey |
KSAQJLKGTOUMMC-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