General Information of the Compound
| Compound ID |
CP0577865
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| Compound Name |
US9446130, 22
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| Structure |
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| Formula |
C26H19F6N9O
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| Molecular Weight |
587.488
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCn2c(C1)nnc2C(F)(F)F
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| InChI |
InChI=1S/C26H19F6N9O/c27-25(28,29)16-5-7-34-17(12-16)36-23(42)14-3-1-13(2-4-14)19-20-21(33)35-8-10-41(20)22(37-19)15-6-9-40-18(11-15)38-39-24(40)26(30,31)32/h1-5,7-8,10,12,15H,6,9,11H2,(H2,33,35)(H,34,36,42)/t15-/m1/s1
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| InChIKey |
KWQZBNNBABDLTG-OAHLLOKOSA-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