General Information of the Compound
| Compound ID |
CP0478135
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| Compound Name |
US9139578, 20
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| Structure |
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| Formula |
C26H27N5O4S
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| Molecular Weight |
505.6
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| Canonical SMILES |
CC(=O)NC(c1nnc(o1)C1CN(C1)C(=O)OC(C)(C)C)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C26H27N5O4S/c1-15(32)27-21(23-30-29-22(34-23)18-13-31(14-18)25(33)35-26(2,3)4)24-28-19-11-10-17(12-20(19)36-24)16-8-6-5-7-9-16/h5-12,18,21H,13-14H2,1-4H3,(H,27,32)
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| InChIKey |
OVJITKZBQSIUNR-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