General Information of the Compound
| Compound ID |
CP0926480
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| Compound Name |
(S)-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-(1-(4-fluorophenyl)ethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H19FN6
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| Molecular Weight |
338.39
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| Canonical SMILES |
C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H19FN6/c1-11(12-4-6-14(19)7-5-12)21-18-20-9-8-16(23-18)22-17-10-15(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1
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| InChIKey |
HUUNMUHHQRBGBT-NSHDSACASA-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