General Information of the Compound
| Compound ID |
CP0066186
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| Compound Name |
US9163013, 12
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| Structure |
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| Formula |
C25H23F2N5O4
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| Molecular Weight |
495.486
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| Canonical SMILES |
OC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(cc34)-c3cccc(F)c3F)CC2)n1
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| InChI |
InChI=1S/C25H23F2N5O4/c26-18-3-1-2-16(22(18)27)15-4-5-19-17(10-15)23(31-30-19)24(33)28-11-14-6-8-32(9-7-14)12-21-29-20(13-36-21)25(34)35/h1-5,10,13-14H,6-9,11-12H2,(H,28,33)(H,30,31)(H,34,35)
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| InChIKey |
XXAOHCUJHCJTGG-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