General Information of the Compound
| Compound ID |
CP0461591
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| Compound Name |
US8912224, 20
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| Structure |
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| Formula |
C25H22FN5O3S
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| Molecular Weight |
491.548
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| Canonical SMILES |
Fc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3nnc4CCCn34)ccc2O1
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| InChI |
InChI=1S/C25H22FN5O3S/c26-17-4-1-3-15(11-17)19-8-6-16-12-18(7-9-20(16)34-19)33-25-28-13-21(35-25)24(32)27-14-23-30-29-22-5-2-10-31(22)23/h1,3-4,7,9,11-13,19H,2,5-6,8,10,14H2,(H,27,32)
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| InChIKey |
IDVJLAHSRXEJMB-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