General Information of the Compound
| Compound ID |
CP0483257
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| Compound Name |
US9464076, 70
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| Structure |
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| Formula |
C26H26N2O4S
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| Molecular Weight |
462.571
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| Canonical SMILES |
CCOCc1cccc2nc(NC(=O)c3sc4c(ccc(COC)c4c3C)C(C)=O)ccc12
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| InChI |
InChI=1S/C26H26N2O4S/c1-5-32-14-17-7-6-8-21-20(17)11-12-22(27-21)28-26(30)24-15(2)23-18(13-31-4)9-10-19(16(3)29)25(23)33-24/h6-12H,5,13-14H2,1-4H3,(H,27,28,30)
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| InChIKey |
ZCBVNZTYQMIVRK-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