General Information of the Compound
| Compound ID |
CP0469616
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| Compound Name |
US10300060, Example 9-1
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| Structure |
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| Formula |
C27H19ClF3N7O2
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| Molecular Weight |
565.943
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| Canonical SMILES |
Nc1ncc(Cl)cc1-c1ccc(Oc2ccc(NC(=O)Nc3cc(ccc3-n3cccn3)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C27H19ClF3N7O2/c28-18-13-21(25(32)34-14-18)16-2-6-20(7-3-16)40-24-9-5-19(15-33-24)36-26(39)37-22-12-17(27(29,30)31)4-8-23(22)38-11-1-10-35-38/h1-15H,(H2,32,34)(H2,36,37,39)
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| InChIKey |
LMRIJLJOVVEKIC-UHFFFAOYSA-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