General Information of the Compound
| Compound ID |
CP0450548
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| Compound Name |
US9187424, 104
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| Structure |
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| Formula |
C23H22F6N2O2
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| Molecular Weight |
472.429
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(N)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F6N2O2/c1-14-3-5-15(6-4-14)18-13-21(23(27,28)29,31-20(32)19(18)30)16-7-9-17(10-8-16)33-12-2-11-22(24,25)26/h3-10H,2,11-13,30H2,1H3,(H,31,32)/t21-/m0/s1
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| InChIKey |
KTEKFLCACKLBMQ-NRFANRHFSA-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