General Information of the Compound
| Compound ID |
CP0218547
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| Compound Name |
US9266877, 1
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| Structure |
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| Formula |
C33H26N6O3S
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| Molecular Weight |
586.677
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H26N6O3S/c40-31(37-33-35-27-11-4-5-12-28(27)43-33)25-10-6-9-22-15-16-38(20-26(22)25)29-14-13-24(30(36-29)32(41)42)23-17-34-39(19-23)18-21-7-2-1-3-8-21/h1-14,17,19H,15-16,18,20H2,(H,41,42)(H,35,37,40)
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| InChIKey |
NMKBDYBTAFPYQG-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