General Information of the Compound
| Compound ID |
CP0550971
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| Compound Name |
US8618303, 14
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| Structure |
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| Formula |
C26H22ClFN4O3
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| Molecular Weight |
492.938
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(nc1)C#N
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| InChI |
InChI=1S/C26H22ClFN4O3/c1-26(31(2)25(34)35-22-11-8-20(28)9-12-22)16-32(15-23(26)17-3-6-19(27)7-4-17)24(33)18-5-10-21(13-29)30-14-18/h3-12,14,23H,15-16H2,1-2H3/t23-,26+/m1/s1
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| InChIKey |
HQFZVSTZBLUKTQ-BVAGGSTKSA-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