General Information of the Compound
| Compound ID |
CP0522217
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| Compound Name |
US9266877, 81
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| Structure |
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| Formula |
C41H41N7O5S
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| Molecular Weight |
743.89
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| Canonical SMILES |
Cc1c(cnn1Cc1ccccc1OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C41H41N7O5S/c1-27-32(24-42-48(27)25-29-8-2-4-12-35(29)53-21-7-17-46-19-22-52-23-20-46)30-14-15-37(44-38(30)40(50)51)47-18-16-28-9-6-10-31(33(28)26-47)39(49)45-41-43-34-11-3-5-13-36(34)54-41/h2-6,8-15,24H,7,16-23,25-26H2,1H3,(H,50,51)(H,43,45,49)
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| InChIKey |
PANNEEFYXZRCCJ-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