General Information of the Compound
| Compound ID |
CP0548725
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| Compound Name |
US8912224, 251
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| Structure |
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| Formula |
C26H23N3O4S
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| Molecular Weight |
473.554
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| Canonical SMILES |
OC[C@@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1)c1ccccc1
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| InChI |
InChI=1S/C26H23N3O4S/c30-16-21(17-5-2-1-3-6-17)29-25(31)24-15-28-26(34-24)32-20-9-11-22-18(13-20)8-10-23(33-22)19-7-4-12-27-14-19/h1-7,9,11-15,21,23,30H,8,10,16H2,(H,29,31)/t21-,23?/m1/s1
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| InChIKey |
KUKDJVBWUMZYNX-FKHAVUOCSA-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