General Information of the Compound
| Compound ID |
CP0067715
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| Compound Name |
[3-[[5-fluoro-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-methylphenyl]methanol
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| Structure |
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| Formula |
C24H28FN5O4S
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| Molecular Weight |
501.584
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| Canonical SMILES |
CN(c1cc(CO)ccc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
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| InChI |
InChI=1S/C24H28FN5O4S/c1-16-4-5-17(15-31)10-22(16)29(2)23-21(25)14-26-24(28-23)27-18-11-19(30-6-8-34-9-7-30)13-20(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28)
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| InChIKey |
CPBPBGYLBWTBJR-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