General Information of the Compound
| Compound ID |
CP0540641
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| Compound Name |
US9481682, 184
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| Structure |
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| Formula |
C28H26F3N7O5
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| Molecular Weight |
597.554
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| Canonical SMILES |
CCOC(=O)c1oc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nc1C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N7O5/c1-2-42-26(41)21-22(28(29,30)31)35-27(43-21)36-25(40)15-5-3-14(4-6-15)19-20-23(32)33-11-12-37(20)24(34-19)16-7-8-17-9-10-18(39)38(17)13-16/h3-6,11-12,16-17H,2,7-10,13H2,1H3,(H2,32,33)(H,35,36,40)/t16-,17+/m1/s1
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| InChIKey |
AZQBMCBAUFXMQL-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