General Information of the Compound
| Compound ID |
CP0458543
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| Compound Name |
US9493412, 103
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(c1)-c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C21H21N3O4/c1-12(23-20(27)17-11-24(2)21(28)18(17)25)13-5-3-6-14(9-13)15-7-4-8-16(10-15)19(22)26/h3-10,12,25H,11H2,1-2H3,(H2,22,26)(H,23,27)/t12-/m1/s1
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| InChIKey |
XIBPQYSVDIQONN-GFCCVEGCSA-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