General Information of the Compound
| Compound ID |
CP0515070
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| Compound Name |
US9266877, 50
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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(CC2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-6-1-2-7-27(26)43-32)24-5-3-4-21-10-13-37(19-25(21)24)28-9-8-23(29(35-28)31(40)41)22-16-33-38(18-22)17-20-11-14-42-15-12-20/h1-9,16,18,20H,10-15,17,19H2,(H,40,41)(H,34,36,39)
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| InChIKey |
MXEQADTUEHZJIP-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