General Information of the Compound
| Compound ID |
CP0573775
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| Compound Name |
US9969687, Compound 256
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| Structure |
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| Formula |
C25H21ClN4O4S
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| Molecular Weight |
508.987
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| Canonical SMILES |
Cc1cnc(C#N)c(c1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
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| InChI |
InChI=1S/C25H21ClN4O4S/c1-14-11-20(19(12-27)28-13-14)30-23(31)21-17(26)9-10-18(22(21)24(30)32)29-35(33,34)16-7-5-15(6-8-16)25(2,3)4/h5-11,13,29H,1-4H3
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| InChIKey |
OYXRYYGTACIRAJ-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