General Information of the Compound
| Compound ID |
CP0490876
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| Compound Name |
US9481682, 107
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| Structure |
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| Formula |
C26H22F3N7O3
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| Molecular Weight |
537.502
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1
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| InChI |
InChI=1S/C26H22F3N7O3/c27-26(28,29)16-7-8-31-19(11-16)33-25(38)15-3-1-14(2-4-15)21-22-23(30)32-9-10-35(22)24(34-21)18-12-36-17(13-39-18)5-6-20(36)37/h1-4,7-11,17-18H,5-6,12-13H2,(H2,30,32)(H,31,33,38)/t17-,18-/m1/s1
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| InChIKey |
WFNBOVIAPKYHDH-QZTJIDSGSA-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