General Information of the Compound
| Compound ID |
CP0573992
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| Compound Name |
US9062048, 99
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| Formula |
C24H27F3N6O2S
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| Molecular Weight |
520.581
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| Canonical SMILES |
OC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C24H27F3N6O2S/c25-24(26,27)15-3-6-19-18(7-15)23(31-12-30-19)29-9-21(34)32-16-10-33(11-16)17-4-1-14(2-5-17)22(35)20-8-28-13-36-20/h3,6-8,12-14,16-17,22,35H,1-2,4-5,9-11H2,(H,32,34)(H,29,30,31)/t14-,17+,22?
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| InChIKey |
NVAPBWYJPGRDJI-GWLCFTNTSA-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