General Information of the Compound
| Compound ID |
CP0250157
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| Compound Name |
US9266869, 11
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| Structure |
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| Formula |
C24H22N4O3S
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| Molecular Weight |
446.532
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cccc(c2)C#Cc2cncc(c2)C(=O)N=S(C)(C)=O)cc1
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| InChI |
InChI=1S/C24H22N4O3S/c1-17-7-11-21(12-8-17)26-24(30)27-22-6-4-5-18(14-22)9-10-19-13-20(16-25-15-19)23(29)28-32(2,3)31/h4-8,11-16H,1-3H3,(H2,26,27,30)
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| InChIKey |
VCNXGTUNBURRIV-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