General Information of the Compound
| Compound ID |
CP0425538
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| Compound Name |
US9266877, 177
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| Structure |
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| Formula |
C38H37N5O4S
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| Molecular Weight |
659.812
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| Canonical SMILES |
CN(C(=O)C1CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H37N5O4S/c1-23-26(13-9-16-31(23)42(2)36(45)25-10-4-3-5-11-25)27-18-19-33(40-34(27)37(46)47)43-21-20-24-12-8-14-28(29(24)22-43)35(44)41-38-39-30-15-6-7-17-32(30)48-38/h6-9,12-19,25H,3-5,10-11,20-22H2,1-2H3,(H,46,47)(H,39,41,44)
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| InChIKey |
QFDMSUUMMGGQNA-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