General Information of the Compound
| Compound ID |
CP0558522
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| Compound Name |
US9481682, 45
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| Structure |
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| Formula |
C28H25F4N7O2
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| Molecular Weight |
567.547
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCC(=O)N2C1
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| InChI |
InChI=1S/C28H25F4N7O2/c29-20-12-15(27(41)36-21-13-17(8-9-34-21)28(30,31)32)5-7-19(20)23-24-25(33)35-10-11-38(24)26(37-23)16-4-6-18-2-1-3-22(40)39(18)14-16/h5,7-13,16,18H,1-4,6,14H2,(H2,33,35)(H,34,36,41)/t16-,18-/m1/s1
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| InChIKey |
XSUYQLBHTVQHJS-SJLPKXTDSA-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