General Information of the Compound
| Compound ID |
CP0566297
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| Compound Name |
US9266877, 103
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| Structure |
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| Formula |
C35H26N4O4S
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| Molecular Weight |
598.684
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(Oc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H26N4O4S/c40-33(38-35-36-29-14-4-5-15-30(29)44-35)27-13-7-8-22-18-19-39(21-28(22)27)31-17-16-26(32(37-31)34(41)42)23-9-6-12-25(20-23)43-24-10-2-1-3-11-24/h1-17,20H,18-19,21H2,(H,41,42)(H,36,38,40)
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| InChIKey |
NEPHNFIHXJIMPF-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