General Information of the Compound
| Compound ID |
CP0576469
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| Compound Name |
US9481682, 186
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| Structure |
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| Formula |
C27H27F3N8O2
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| Molecular Weight |
552.561
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| Canonical SMILES |
Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F
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| InChI |
InChI=1S/C27H27F3N8O2/c1-14-11-15(26(40)33-20-12-19(27(28,29)30)36(2)35-20)4-7-18(14)22-23-24(31)32-9-10-37(23)25(34-22)16-3-5-17-6-8-21(39)38(17)13-16/h4,7,9-12,16-17H,3,5-6,8,13H2,1-2H3,(H2,31,32)(H,33,35,40)/t16-,17+/m1/s1
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| InChIKey |
OFKKAGURRATKQU-SJORKVTESA-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