General Information of the Compound
| Compound ID |
CP0470251
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| Compound Name |
US9266877, 67
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| Structure |
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| Formula |
C39H36N6O3S
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| Molecular Weight |
668.823
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)c2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H36N6O3S/c46-36(43-38-41-32-14-5-6-15-33(32)49-38)30-13-9-10-26-18-21-44(24-31(26)30)34-17-16-29(35(42-34)37(47)48)27-22-40-45(23-27)25-39(19-7-2-8-20-39)28-11-3-1-4-12-28/h1,3-6,9-17,22-23H,2,7-8,18-21,24-25H2,(H,47,48)(H,41,43,46)
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| InChIKey |
DUIDJJWLULSDGN-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