General Information of the Compound
| Compound ID |
CP0521533
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| Compound Name |
US9199981, F143
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| Structure |
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| Formula |
C28H29F2N5O4
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| Molecular Weight |
537.567
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CCC(=O)OC(C)(C)C)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C28H29F2N5O4/c1-16-5-8-18(24-33-26(39-34-24)19-12-28(29,30)13-19)11-20(16)32-25(37)21-14-31-22-9-6-17(15-35(21)22)7-10-23(36)38-27(2,3)4/h5-6,8-9,11,14-15,19H,7,10,12-13H2,1-4H3,(H,32,37)
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| InChIKey |
QJSFAFPSJKXOAK-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