General Information of the Compound
| Compound ID |
CP0423744
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| Compound Name |
US10077266, Example 57
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| Structure |
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| Formula |
C24H30F4N6O2
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| Molecular Weight |
510.536
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| Canonical SMILES |
CC1N(CCc2nc(NCC(F)F)c(nc12)N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
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| InChI |
InChI=1S/C24H30F4N6O2/c1-14-21-18(8-11-34(14)24(35)32(2)3)30-22(29-13-20(27)28)23(31-21)33-9-6-16(7-10-33)36-19-5-4-15(25)12-17(19)26/h4-5,12,14,16,20H,6-11,13H2,1-3H3,(H,29,30)
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| InChIKey |
WQBBZAUSIBHYSV-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