General Information of the Compound
| Compound ID |
CP0521526
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| Compound Name |
US9199981, F49
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| Structure |
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| Formula |
C27H28F2N6O4S
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| Molecular Weight |
570.622
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)C1CCN(CC1)S(C)(=O)=O)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C27H28F2N6O4S/c1-16-3-4-19(24-32-26(39-33-24)20-13-27(28,29)14-20)11-21(16)31-25(36)22-15-30-23-12-18(7-10-35(22)23)17-5-8-34(9-6-17)40(2,37)38/h3-4,7,10-12,15,17,20H,5-6,8-9,13-14H2,1-2H3,(H,31,36)
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| InChIKey |
MMOFMAAEZFLAQN-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