General Information of the Compound
| Compound ID |
CP0555307
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| Compound Name |
US8822510, 85
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| Structure |
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| Formula |
C24H22ClF2N3O4
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| Molecular Weight |
489.906
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| Canonical SMILES |
OC(C(F)(F)c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H22ClF2N3O4/c25-18-7-5-17(6-8-18)23(9-10-23)21(33)24(26,27)22-28-19(29-34-22)15-3-1-14(2-4-15)11-30-12-16(13-30)20(31)32/h1-8,16,21,33H,9-13H2,(H,31,32)
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| InChIKey |
VJTRKOMWEFKFGZ-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