General Information of the Compound
| Compound ID |
CP0500148
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| Compound Name |
US8952150, 4
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| Structure |
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| Formula |
C28H31N7O4
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| Molecular Weight |
529.601
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C28H31N7O4/c36-24-13-11-23(12-14-24)32-28-34-26(33-27(35-28)31-22-9-5-2-6-10-22)30-16-18-39-20-19-38-17-15-29-25(37)21-7-3-1-4-8-21/h1-14,36H,15-20H2,(H,29,37)(H3,30,31,32,33,34,35)
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| InChIKey |
WFHONTNXDFUYJZ-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