General Information of the Compound
| Compound ID |
CP0430260
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| Compound Name |
CHEMBL4556977
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| Formula |
C22H29N5OS
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| Molecular Weight |
411.575
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| Canonical SMILES |
CCCCCCN(C)Cc1cc(cs1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
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| InChI |
InChI=1S/C22H29N5OS/c1-5-6-7-8-9-26(4)13-18-10-16(14-29-18)20-19(15(2)3)22(28)27-21(25-20)17(11-23)12-24-27/h10,12,14-15,25H,5-9,13H2,1-4H3
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| InChIKey |
MSRPYQLIKRKXDL-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