General Information of the Compound
| Compound ID |
CP0519289
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| Compound Name |
4-N-cyclohexyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C13H16F3N5
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| Molecular Weight |
299.3
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| Canonical SMILES |
Nc1nc(NC2CCCCC2)c2c(c[nH]c2n1)C(F)(F)F
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| InChI |
InChI=1S/C13H16F3N5/c14-13(15,16)8-6-18-10-9(8)11(21-12(17)20-10)19-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,17,18,19,20,21)
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| InChIKey |
MDHVQOJKWDXZIF-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