General Information of the Compound
| Compound ID |
CP0451347
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| Compound Name |
US9428500, 9
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| Structure |
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| Formula |
C36H31F3N4O
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| Molecular Weight |
592.665
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5cccc(c5)C(F)(F)F)cc4)c3c2c1
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| InChI |
InChI=1S/C36H31F3N4O/c1-42-17-19-43(20-18-42)29-12-9-25(10-13-29)27-11-14-33-32(21-27)34-31(15-16-40-35(34)41-33)26-7-5-24(6-8-26)23-44-30-4-2-3-28(22-30)36(37,38)39/h2-16,21-22H,17-20,23H2,1H3,(H,40,41)
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| InChIKey |
BYTWENIMWJOMFQ-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