General Information of the Compound
| Compound ID |
CP0499632
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| Compound Name |
US9481682, 131
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| Structure |
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| Formula |
C28H29F3N8O3
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| Molecular Weight |
582.587
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| Canonical SMILES |
CCOc1cc(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/C28H29F3N8O3/c1-3-42-19-12-15(27(41)34-21-13-20(28(29,30)31)37(2)36-21)5-8-18(19)23-24-25(32)33-10-11-38(24)26(35-23)16-4-6-17-7-9-22(40)39(17)14-16/h5,8,10-13,16-17H,3-4,6-7,9,14H2,1-2H3,(H2,32,33)(H,34,36,41)/t16-,17+/m1/s1
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| InChIKey |
LNPOPYVTLTYSRB-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