General Information of the Compound
| Compound ID |
CP0551074
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| Compound Name |
US8912224, 269
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| Structure |
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| Formula |
C23H24N4O4S
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| Molecular Weight |
452.536
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| Canonical SMILES |
CO[C@H]1CNC[C@@H]1NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C23H24N4O4S/c1-29-20-12-25-11-17(20)27-22(28)21-13-26-23(32-21)30-16-5-7-18-14(9-16)4-6-19(31-18)15-3-2-8-24-10-15/h2-3,5,7-10,13,17,19-20,25H,4,6,11-12H2,1H3,(H,27,28)/t17-,19?,20-/m0/s1
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| InChIKey |
PCYKFYUHYVLKSY-SPFPWHRZSA-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