General Information of the Compound
| Compound ID |
CP0181332
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| Compound Name |
[4-chloro-3-[[5-fluoro-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]phenyl]methanol
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| Structure |
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| Formula |
C23H25ClFN5O4S
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| Molecular Weight |
522.002
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| Canonical SMILES |
CN(c1cc(CO)ccc1Cl)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
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| InChI |
InChI=1S/C23H25ClFN5O4S/c1-29(21-9-15(14-31)3-4-19(21)24)22-20(25)13-26-23(28-22)27-16-10-17(30-5-7-34-8-6-30)12-18(11-16)35(2,32)33/h3-4,9-13,31H,5-8,14H2,1-2H3,(H,26,27,28)
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| InChIKey |
AHRSJDAOQNYYAI-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