General Information of the Compound
| Compound ID |
CP0539339
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| Compound Name |
US8629282, 68
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| Structure |
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| Formula |
C23H17F3N4O6
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| Molecular Weight |
502.405
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| Canonical SMILES |
O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NCC(O)=O
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| InChI |
InChI=1S/C23H17F3N4O6/c24-23(25,26)17-18(11-4-2-1-3-5-11)29-35-20(17)22-28-21(30-36-22)12-6-7-13-15(8-12)34-10-14(19(13)33)27-9-16(31)32/h1-8,14,19,27,33H,9-10H2,(H,31,32)/t14-,19+/m1/s1
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| InChIKey |
CXDNPBDEFFQNRT-KUHUBIRLSA-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