General Information of the Compound
| Compound ID |
CP0904493
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| Compound Name |
5-chloro-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H16ClFN6
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| Molecular Weight |
346.797
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| Canonical SMILES |
Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)ncc2Cl)n[nH]1
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| InChI |
InChI=1S/C16H16ClFN6/c1-9-7-14(24-23-9)21-15-13(17)8-19-16(22-15)20-10(2)11-3-5-12(18)6-4-11/h3-8,10H,1-2H3,(H3,19,20,21,22,23,24)/t10-/m0/s1
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| InChIKey |
LOLXORGETFFIBV-JTQLQIEISA-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