General Information of the Compound
| Compound ID |
CP0484449
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| Compound Name |
US10300060, Example 21-2
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| Structure |
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| Formula |
C31H25F3N10O2
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| Molecular Weight |
626.603
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| Canonical SMILES |
Cn1nccc1-c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnn3ccc(nc23)N2CCC2)nc1)C(F)(F)F
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| InChI |
InChI=1S/C31H25F3N10O2/c1-42-26(9-11-37-42)23-8-5-20(31(32,33)34)15-25(23)40-29(45)39-21-16-35-30(36-17-21)46-22-6-3-19(4-7-22)24-18-38-44-14-10-27(41-28(24)44)43-12-2-13-43/h3-11,14-18H,2,12-13H2,1H3,(H2,39,40,45)
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| InChIKey |
QISLGJPRCJEXIU-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