General Information of the Compound
| Compound ID |
CP0549889
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| Compound Name |
US9266877, 149
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| Structure |
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| Formula |
C32H30N6O4S
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| Molecular Weight |
594.697
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CC2CCCCO2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-9-1-2-10-27(26)43-32)24-8-5-6-20-13-14-37(19-25(20)24)28-12-11-23(29(35-28)31(40)41)21-16-33-38(17-21)18-22-7-3-4-15-42-22/h1-2,5-6,8-12,16-17,22H,3-4,7,13-15,18-19H2,(H,40,41)(H,34,36,39)
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| InChIKey |
BCHUMHCNABWKFT-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