General Information of the Compound
| Compound ID |
CP0477408
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| Compound Name |
US10077266, Example 150
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| Structure |
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| Formula |
C25H31F2N5O3
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| Molecular Weight |
487.551
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| Canonical SMILES |
CCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1
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| InChI |
InChI=1S/C25H31F2N5O3/c1-2-23(33)32-11-7-20-21(14-32)29-24(28-17-8-12-34-15-17)25(30-20)31-9-5-18(6-10-31)35-22-4-3-16(26)13-19(22)27/h3-4,13,17-18H,2,5-12,14-15H2,1H3,(H,28,29)/t17-/m0/s1
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| InChIKey |
JRJLPTCUEBFMPA-KRWDZBQOSA-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