General Information of the Compound
| Compound ID |
CP0498012
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| Compound Name |
US9493412, 104
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(c1)-c1ccc(CNC(C)=O)cc1
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| InChI |
InChI=1S/C23H25N3O4/c1-14(25-22(29)20-13-26(3)23(30)21(20)28)18-5-4-6-19(11-18)17-9-7-16(8-10-17)12-24-15(2)27/h4-11,14,28H,12-13H2,1-3H3,(H,24,27)(H,25,29)/t14-/m1/s1
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| InChIKey |
PPWXLQLLGUCWJS-CQSZACIVSA-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