General Information of the Compound
| Compound ID |
CP0471290
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| Compound Name |
US9464076, 18
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| Structure |
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| Formula |
C26H26N2O3S
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| Molecular Weight |
446.572
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| Canonical SMILES |
CC(C)C(=O)c1cccc2c(C)c(sc12)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C26H26N2O3S/c1-14(2)22(29)18-11-8-10-16-15(3)23(32-24(16)18)25(30)28-21-13-19(26(4,5)31)17-9-6-7-12-20(17)27-21/h6-14,31H,1-5H3,(H,27,28,30)
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| InChIKey |
COZVJVKOZYUSRG-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