General Information of the Compound
| Compound ID |
CP0512610
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| Compound Name |
US9187424, 261
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| Structure |
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| Formula |
C24H16F10N2O3
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| Molecular Weight |
570.383
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| Canonical SMILES |
Fc1cc(ccc1OC(F)(F)F)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H16F10N2O3/c25-18-10-13(2-7-19(18)39-24(32,33)34)16-11-21(23(29,30)31,36-20(37)17(16)12-35)14-3-5-15(6-4-14)38-9-1-8-22(26,27)28/h2-7,10H,1,8-9,11H2,(H,36,37)
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| InChIKey |
LRZYRLGXPZJBPX-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