General Information of the Compound
| Compound ID |
CP0492947
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| Compound Name |
US9481682, 41
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| Structure |
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| Formula |
C27H25F3N8O2
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| Molecular Weight |
550.545
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2CNCC(=O)N2C1
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| InChI |
InChI=1S/C27H25F3N8O2/c28-27(29,30)18-7-8-33-20(11-18)35-26(40)16-3-1-15(2-4-16)22-23-24(31)34-9-10-37(23)25(36-22)17-5-6-19-12-32-13-21(39)38(19)14-17/h1-4,7-11,17,19,32H,5-6,12-14H2,(H2,31,34)(H,33,35,40)/t17-,19+/m0/s1
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| InChIKey |
ZNXJVIMHAMGCOT-PKOBYXMFSA-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