General Information of the Compound
| Compound ID |
CP0564327
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| Compound Name |
US10077266, Example 10
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| Structure |
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| Formula |
C24H31F2N5O3
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| Molecular Weight |
475.54
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| Canonical SMILES |
COCC(=O)N1CCc2nc(NC(C)C)c(nc2C1)N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H31F2N5O3/c1-15(2)27-23-24(29-20-13-31(22(32)14-33-3)11-8-19(20)28-23)30-9-6-17(7-10-30)34-21-5-4-16(25)12-18(21)26/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,27,28)
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| InChIKey |
MBPOFZZJKYHBRS-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