General Information of the Compound
| Compound ID |
CP0558730
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| Compound Name |
6-chloro-4-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H19ClFN5
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| Molecular Weight |
335.814
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| Canonical SMILES |
Nc1nc(Cl)cc(NC2CCN(Cc3ccccc3F)CC2)n1
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| InChI |
InChI=1S/C16H19ClFN5/c17-14-9-15(22-16(19)21-14)20-12-5-7-23(8-6-12)10-11-3-1-2-4-13(11)18/h1-4,9,12H,5-8,10H2,(H3,19,20,21,22)
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| InChIKey |
NIRSXJWTRGUECF-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