General Information of the Compound
| Compound ID |
CP0559889
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| Compound Name |
US9266877, 128
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| Structure |
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| Formula |
C33H25N5O5S2
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| Molecular Weight |
635.727
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1ccn(c1)S(=O)(=O)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H25N5O5S2/c39-31(36-33-34-27-11-4-5-12-28(27)44-33)25-10-6-7-21-15-17-37(20-26(21)25)29-14-13-24(30(35-29)32(40)41)22-16-18-38(19-22)45(42,43)23-8-2-1-3-9-23/h1-14,16,18-19H,15,17,20H2,(H,40,41)(H,34,36,39)
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| InChIKey |
XERRVYFCMVQPEG-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