General Information of the Compound
| Compound ID |
CP0461592
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| Compound Name |
US8912224, 52
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| Structure |
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| Formula |
C27H25N3O3S2
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| Molecular Weight |
503.649
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| Canonical SMILES |
C[C@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1nc(cs1)C1CC1
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| InChI |
InChI=1S/C27H25N3O3S2/c1-16(26-30-21(15-34-26)17-7-8-17)29-25(31)24-14-28-27(35-24)32-20-10-12-23-19(13-20)9-11-22(33-23)18-5-3-2-4-6-18/h2-6,10,12-17,22H,7-9,11H2,1H3,(H,29,31)/t16-,22?/m0/s1
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| InChIKey |
LREIDXDESDQPKO-CISYCMJJSA-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