General Information of the Compound
| Compound ID |
CP0507171
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| Compound Name |
US8629282, 41
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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)NCC1(CCC1)C(O)=O
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| InChI |
InChI=1S/C27H23F3N4O6/c28-27(29,30)19-20(14-5-2-1-3-6-14)33-39-22(19)24-32-23(34-40-24)15-7-8-16-18(11-15)38-12-17(21(16)35)31-13-26(25(36)37)9-4-10-26/h1-3,5-8,11,17,21,31,35H,4,9-10,12-13H2,(H,36,37)/t17-,21+/m1/s1
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| InChIKey |
GCPODNLBNUDMCM-UTKZUKDTSA-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