General Information of the Compound
| Compound ID |
CP0515039
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| Compound Name |
US9199981, F96
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| Structure |
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| Formula |
C27H28F2N6O3
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| Molecular Weight |
522.556
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C27H28F2N6O3/c1-15-4-5-18(24-32-26(38-33-24)19-9-27(28,29)10-19)8-21(15)31-25(36)22-11-30-23-7-6-20(14-35(22)23)34-12-16(2)37-17(3)13-34/h4-8,11,14,16-17,19H,9-10,12-13H2,1-3H3,(H,31,36)/t16-,17+
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| InChIKey |
WLWRVOASHCUSOL-CALCHBBNSA-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