General Information of the Compound
| Compound ID |
CP0475693
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| Compound Name |
US9428500, 54
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| Structure |
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| Formula |
C36H31F3N4
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| Molecular Weight |
576.666
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)c(c4)C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C36H31F3N4/c1-42-17-19-43(20-18-42)29-12-9-25(10-13-29)26-11-14-33-31(22-26)34-30(15-16-40-35(34)41-33)27-7-8-28(32(23-27)36(37,38)39)21-24-5-3-2-4-6-24/h2-16,22-23H,17-21H2,1H3,(H,40,41)
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| InChIKey |
WQXNGIWVUFJDFZ-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