General Information of the Compound
| Compound ID |
CP0515078
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| Compound Name |
US9266877, 136
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| Structure |
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| Formula |
C38H32N6O3S
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| Molecular Weight |
652.78
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1ccc2CN(Cc3ccccn3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H32N6O3S/c45-36(42-38-40-32-9-1-2-10-33(32)48-38)30-8-5-6-24-16-19-44(23-31(24)30)34-14-13-29(35(41-34)37(46)47)26-11-12-27-21-43(18-15-25(27)20-26)22-28-7-3-4-17-39-28/h1-14,17,20H,15-16,18-19,21-23H2,(H,46,47)(H,40,42,45)
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| InChIKey |
KYJMLYBOYHSDKK-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