General Information of the Compound
| Compound ID |
CP0431859
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| Compound Name |
4-N,2-dicyclopropyl-6-N-[(2,6-difluorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
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| Structure |
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| Formula |
C18H20F2N4
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| Molecular Weight |
330.382
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| Canonical SMILES |
Cc1c(NCc2c(F)cccc2F)nc(nc1NC1CC1)C1CC1
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| InChI |
InChI=1S/C18H20F2N4/c1-10-16(21-9-13-14(19)3-2-4-15(13)20)23-18(11-5-6-11)24-17(10)22-12-7-8-12/h2-4,11-12H,5-9H2,1H3,(H2,21,22,23,24)
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| InChIKey |
NTYZIRSXTSUBFT-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