General Information of the Compound
| Compound ID |
CP0483209
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| Compound Name |
US8629282, 50
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| Structure |
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| Formula |
C27H23F3N4O6
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| Molecular Weight |
556.497
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| Canonical SMILES |
O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)N1CCCC(C1)C(O)=O
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| InChI |
InChI=1S/C27H23F3N4O6/c28-27(29,30)20-21(14-5-2-1-3-6-14)32-39-23(20)25-31-24(33-40-25)15-8-9-17-19(11-15)38-13-18(22(17)35)34-10-4-7-16(12-34)26(36)37/h1-3,5-6,8-9,11,16,18,22,35H,4,7,10,12-13H2,(H,36,37)/t16?,18-,22+/m1/s1
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| InChIKey |
HKMGIGALVDWQLN-KLKIPRAKSA-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