General Information of the Compound
| Compound ID |
CP0491404
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| Compound Name |
US8969325, 277
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| Structure |
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| Formula |
C22H24ClN3O3
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| Molecular Weight |
413.905
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Cl)ccc34)cc12
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| InChI |
InChI=1S/C22H24ClN3O3/c1-22(2)12-17(16-8-6-14(23)10-19(16)29-22)25-21(28)24-15-7-4-13-5-9-20(27)26(3)18(13)11-15/h4,6-8,10-11,17H,5,9,12H2,1-3H3,(H2,24,25,28)/t17-/m1/s1
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| InChIKey |
AGSIAFUQDKFVFH-QGZVFWFLSA-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