General Information of the Compound
| Compound ID |
CP0556159
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| Compound Name |
US9266877, 51
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| Structure |
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| Formula |
C38H33N7O3S
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| Molecular Weight |
667.795
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| Canonical SMILES |
CN(C)CC#Cc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H33N7O3S/c1-43(2)19-8-12-25-9-3-4-10-27(25)22-45-23-28(21-39-45)29-16-17-34(41-35(29)37(47)48)44-20-18-26-11-7-13-30(31(26)24-44)36(46)42-38-40-32-14-5-6-15-33(32)49-38/h3-7,9-11,13-17,21,23H,18-20,22,24H2,1-2H3,(H,47,48)(H,40,42,46)
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| InChIKey |
AAIUEXXGSDEMNM-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