General Information of the Compound
| Compound ID |
CP0552382
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| Compound Name |
4-[4-[[2-(4-cyanoanilino)pyrimidin-4-yl]-hydroxymethyl]-3,5-difluorophenyl]benzonitrile
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| Formula |
C25H15F2N5O
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| Molecular Weight |
439.425
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| Canonical SMILES |
OC(c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H15F2N5O/c26-20-11-18(17-5-1-15(13-28)2-6-17)12-21(27)23(20)24(33)22-9-10-30-25(32-22)31-19-7-3-16(14-29)4-8-19/h1-12,24,33H,(H,30,31,32)
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| InChIKey |
RNDOXYPXMIYXSK-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