General Information of the Compound
| Compound ID |
CP0283068
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| Compound Name |
US8901140, 3
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| Structure |
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| Formula |
C32H31ClN6O4
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| Molecular Weight |
599.091
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| Canonical SMILES |
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1C[C@@H](O)CN1C
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| InChI |
InChI=1S/C32H31ClN6O4/c1-3-42-30-15-27-25(14-28(30)38-31(41)10-8-23-13-24(40)18-39(23)2)32(20(16-34)17-36-27)37-21-7-9-29(26(33)12-21)43-19-22-6-4-5-11-35-22/h4-12,14-15,17,23-24,40H,3,13,18-19H2,1-2H3,(H,36,37)(H,38,41)/b10-8+/t23-,24-/m1/s1
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| InChIKey |
MGJMZWXLGRKRAN-XLGCXCGNSA-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