General Information of the Compound
| Compound ID |
CP0484418
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| Compound Name |
US9481682, 140
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| Structure |
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| Formula |
C31H30F3N7O3
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| Molecular Weight |
605.621
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3OC3CCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C31H30F3N7O3/c32-31(33,34)19-10-11-36-24(15-19)38-30(43)17-5-8-22(23(14-17)44-21-2-1-3-21)26-27-28(35)37-12-13-40(27)29(39-26)18-4-6-20-7-9-25(42)41(20)16-18/h5,8,10-15,18,20-21H,1-4,6-7,9,16H2,(H2,35,37)(H,36,38,43)/t18-,20+/m1/s1
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| InChIKey |
FPBNWGIHOQYNCE-QUCCMNQESA-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