General Information of the Compound
| Compound ID |
CP0551028
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| Compound Name |
US8802721, 4
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| Structure |
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| Formula |
C20H18N2O3S
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| Molecular Weight |
366.442
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| Canonical SMILES |
COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1ccncc1C
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| InChI |
InChI=1S/C20H18N2O3S/c1-12-4-5-14(20(24)25-3)10-15(12)17-6-7-18(26-17)19(23)22-16-8-9-21-11-13(16)2/h4-11H,1-3H3,(H,21,22,23)
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| InChIKey |
BAEBBDIFQSEKMY-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