General Information of the Compound
| Compound ID |
CP0331509
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| Compound Name |
US9340555, 82
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| Structure |
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| Formula |
C26H26N4O6S
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| Molecular Weight |
522.583
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| Canonical SMILES |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
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| InChI |
InChI=1S/C26H26N4O6S/c1-16-8-12-35-23(16)26(33)30-17-5-3-6-18(13-17)36-20-7-11-28-19-14-21(37-24(19)20)25(32)29-10-4-9-27-15-22(31)34-2/h3,5-8,11-14,27H,4,9-10,15H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
VXGJPDGYGAAYHW-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