General Information of the Compound
| Compound ID |
CP0563852
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| Compound Name |
US9169240, 68
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| Structure |
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| Formula |
C20H16N4O5S
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| Molecular Weight |
424.438
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| Canonical SMILES |
OCC[C@@H](Nc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C20H16N4O5S/c25-9-8-14(19(27)28)22-20-24-23-17(29-20)16(26)18-21-13-7-6-12(10-15(13)30-18)11-4-2-1-3-5-11/h1-7,10,14,25H,8-9H2,(H,22,24)(H,27,28)/t14-/m1/s1
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| InChIKey |
VVEBXPYNTJUXMO-CQSZACIVSA-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