General Information of the Compound
| Compound ID |
CP0536895
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| Compound Name |
US9199981, F141
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| Structure |
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| Formula |
C24H21F3N6O4
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| Molecular Weight |
514.464
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)C(F)(F)F)-c1noc(CNC(=O)OC2(C)CC2)n1
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| InChI |
InChI=1S/C24H21F3N6O4/c1-13-3-4-14(20-31-19(37-32-20)12-29-22(35)36-23(2)6-7-23)9-16(13)30-21(34)17-11-28-18-10-15(24(25,26)27)5-8-33(17)18/h3-5,8-11H,6-7,12H2,1-2H3,(H,29,35)(H,30,34)
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| InChIKey |
NXELOAFEBVHTSP-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