General Information of the Compound
| Compound ID |
CP0876047
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| Compound Name |
SID134215622
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| Structure |
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| Formula |
C26H25F6N3O2
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| Molecular Weight |
525.493
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| Canonical SMILES |
COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=NC1c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C26H25F6N3O2/c1-15-21(23(36)37-2)22(18-6-4-8-20(12-18)26(30,31)32)34-24(33-13-16-9-10-16)35(15)14-17-5-3-7-19(11-17)25(27,28)29/h3-8,11-12,16,22H,9-10,13-14H2,1-2H3,(H,33,34)
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| InChIKey |
PVFYELARFSWANU-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