General Information of the Compound
| Compound ID |
CP0557635
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| Compound Name |
US8906911, 49
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| Structure |
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| Formula |
C31H37F3N4O
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| Molecular Weight |
538.658
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| Canonical SMILES |
FC(F)(F)c1ccnc(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H37F3N4O/c32-31(33,34)24-8-12-35-28(16-24)37-19-27-17-26(37)20-38(27)29(39)30-11-4-7-23(30)15-25(18-30)36-13-9-22(10-14-36)21-5-2-1-3-6-21/h1-3,5-6,8,12,16,22-23,25-27H,4,7,9-11,13-15,17-20H2/t23-,25-,26+,27+,30-/m1/s1
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| InChIKey |
HIRGLWUBWALBPY-YXDMQEJXSA-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