General Information of the Compound
| Compound ID |
CP0933744
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| Compound Name |
6-[(benzyloxy)methyl]-5-[4-({4-[(trifluoromethyl)sulfonyl]-benzyl}amino)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C26H22F5N5O3S
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| Molecular Weight |
579.551
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| Canonical SMILES |
Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1
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| InChI |
InChI=1S/C26H22F5N5O3S/c27-19-10-16(11-20(28)23(19)40(37,38)26(29,30)31)12-34-18-8-6-17(7-9-18)22-21(35-25(33)36-24(22)32)14-39-13-15-4-2-1-3-5-15/h1-11,34H,12-14H2,(H4,32,33,35,36)
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| InChIKey |
FFLKDRNRIQMTCA-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