General Information of the Compound
| Compound ID |
CP0544113
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| Compound Name |
US8912224, 261
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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 |
CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1)C(=O)OC
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| InChI |
InChI=1S/C25H27N3O5S/c1-4-15(2)22(24(30)31-3)28-23(29)21-14-27-25(34-21)32-18-8-10-19-16(12-18)7-9-20(33-19)17-6-5-11-26-13-17/h5-6,8,10-15,20,22H,4,7,9H2,1-3H3,(H,28,29)/t15-,20?,22-/m0/s1
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| InChIKey |
KSXZQYMHKLSFBS-PFMXYXLMSA-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