General Information of the Compound
| Compound ID |
CP0515232
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| Compound Name |
US9493412, 96
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| Structure |
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| Formula |
C21H19N3O3
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| Molecular Weight |
361.401
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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
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| InChI |
InChI=1S/C21H19N3O3/c1-13(23-20(26)18-12-24(2)21(27)19(18)25)15-6-4-8-17(10-15)16-7-3-5-14(9-16)11-22/h3-10,13,25H,12H2,1-2H3,(H,23,26)/t13-/m1/s1
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| InChIKey |
PBAUCHUJIWKNMU-CYBMUJFWSA-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