General Information of the Compound
| Compound ID |
CP0413461
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| Compound Name |
US10077266, Example 127
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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 |
C[C@H](CCO)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
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| InChI |
InChI=1S/C24H31F2N5O3/c1-15(8-12-32)27-23-24(29-20-7-11-31(16(2)33)14-21(20)28-23)30-9-5-18(6-10-30)34-22-4-3-17(25)13-19(22)26/h3-4,13,15,18,32H,5-12,14H2,1-2H3,(H,27,28)/t15-/m1/s1
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| InChIKey |
ZNZWGTYBKXCTLK-OAHLLOKOSA-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