General Information of the Compound
| Compound ID |
CP0527311
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| Compound Name |
US9199981, F56
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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 |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CCN3CCOCC3)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C27H28F2N6O3/c1-17-2-4-19(24-32-26(38-33-24)20-13-27(28,29)14-20)12-21(17)31-25(36)22-15-30-23-5-3-18(16-35(22)23)6-7-34-8-10-37-11-9-34/h2-5,12,15-16,20H,6-11,13-14H2,1H3,(H,31,36)
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| InChIKey |
RWFRRCZOXFUFBX-UHFFFAOYSA-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