General Information of the Compound
| Compound ID |
CP0556507
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| Compound Name |
US8912224, 271
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| Structure |
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| Formula |
C27H23N3O5S
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| Molecular Weight |
501.564
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C27H23N3O5S/c31-25(30-21(26(32)33)13-17-5-2-1-3-6-17)24-16-29-27(36-24)34-20-9-11-22-18(14-20)8-10-23(35-22)19-7-4-12-28-15-19/h1-7,9,11-12,14-16,21,23H,8,10,13H2,(H,30,31)(H,32,33)/t21-,23?/m0/s1
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| InChIKey |
BBZBRTSNSQZYEN-BBQAJUCSSA-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