General Information of the Compound
| Compound ID |
CP0517479
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| Compound Name |
US10300060, Example 15-87
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| Structure |
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| Formula |
C27H17ClF6N8O2
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| Molecular Weight |
634.928
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| Canonical SMILES |
Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)
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| InChIKey |
QVDYIMHXGBPPLE-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