General Information of the Compound
| Compound ID |
CP0474478
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| Compound Name |
US8952150, 64
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| Structure |
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| Formula |
C37H38N10O4
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| Molecular Weight |
686.777
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| Canonical SMILES |
O=C(NCCOCCOCCNc1nc(Nc2ccc(cc2)C(=O)NCc2ccccc2)nc(Nc2ccc3[nH]ncc3c2)n1)c1ccccc1
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| InChI |
InChI=1S/C37H38N10O4/c48-33(27-9-5-2-6-10-27)38-17-19-50-21-22-51-20-18-39-35-44-36(46-37(45-35)43-31-15-16-32-29(23-31)25-41-47-32)42-30-13-11-28(12-14-30)34(49)40-24-26-7-3-1-4-8-26/h1-16,23,25H,17-22,24H2,(H,38,48)(H,40,49)(H,41,47)(H3,39,42,43,44,45,46)
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| InChIKey |
ATEHMSXNXFHSFF-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