General Information of the Compound
| Compound ID |
CP0466001
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| Compound Name |
US9481682, 108
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| Structure |
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| Formula |
C29H27F3N8O4
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| Molecular Weight |
608.581
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CC(O)=O)CC(=O)N2C1
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| InChI |
InChI=1S/C29H27F3N8O4/c30-29(31,32)19-7-8-34-21(11-19)36-28(44)17-3-1-16(2-4-17)24-25-26(33)35-9-10-39(25)27(37-24)18-5-6-20-13-38(15-23(42)43)14-22(41)40(20)12-18/h1-4,7-11,18,20H,5-6,12-15H2,(H2,33,35)(H,42,43)(H,34,36,44)/t18-,20+/m1/s1
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| InChIKey |
PWFPFIZORJMGLA-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