General Information of the Compound
| Compound ID |
CP0562748
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| Compound Name |
US8912224, 264
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| Structure |
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| Formula |
C25H27N3O5S
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| Molecular Weight |
481.574
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| Canonical SMILES |
COC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1)C(C)(C)C
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| InChI |
InChI=1S/C25H27N3O5S/c1-25(2,3)21(23(30)31-4)28-22(29)20-14-27-24(34-20)32-17-8-10-18-15(12-17)7-9-19(33-18)16-6-5-11-26-13-16/h5-6,8,10-14,19,21H,7,9H2,1-4H3,(H,28,29)/t19?,21-/m1/s1
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| InChIKey |
BVGOQNJJJLYCQS-VGAJERRHSA-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