General Information of the Compound
| Compound ID |
CP0857039
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| Compound Name |
SID134215620
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| Structure |
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| Formula |
C29H27F4N3O3
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| Molecular Weight |
541.545
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| Canonical SMILES |
COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=NC1c1cccc(F)c1
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| InChI |
InChI=1S/C29H27F4N3O3/c1-18-25(27(37)39-3)26(21-7-5-9-23(30)15-21)35-28(34-16-19-10-12-24(38-2)13-11-19)36(18)17-20-6-4-8-22(14-20)29(31,32)33/h4-15,26H,16-17H2,1-3H3,(H,34,35)
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| InChIKey |
BLXBKGPBZTWPNA-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