General Information of the Compound
| Compound ID |
CP0450034
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| Compound Name |
US9187424, 51
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| Structure |
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| Formula |
C31H30F4N2O2
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| Molecular Weight |
538.585
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| Canonical SMILES |
CCCCCc1ccc(cc1)C1(CC(=C(C(=O)Nc2ccc(F)cc2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H30F4N2O2/c1-3-4-5-6-21-9-13-23(14-10-21)30(31(33,34)35)19-26(22-11-7-20(2)8-12-22)27(29(39)37-30)28(38)36-25-17-15-24(32)16-18-25/h7-18H,3-6,19H2,1-2H3,(H,36,38)(H,37,39)
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| InChIKey |
NHRFUURYUVWMJY-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