General Information of the Compound
| Compound ID |
CP0550095
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| Compound Name |
US8952150, 17
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| Structure |
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| Formula |
C30H33N7O6
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| Molecular Weight |
587.637
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| Canonical SMILES |
COC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1
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| InChI |
InChI=1S/C30H33N7O6/c1-41-27(40)22-7-9-23(10-8-22)33-29-35-28(36-30(37-29)34-24-11-13-25(38)14-12-24)32-16-18-43-20-19-42-17-15-31-26(39)21-5-3-2-4-6-21/h2-14,38H,15-20H2,1H3,(H,31,39)(H3,32,33,34,35,36,37)
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| InChIKey |
UMJRMPRPJMSVNN-UHFFFAOYSA-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