General Information of the Compound
| Compound ID |
CP0509178
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| Compound Name |
3-(2-Bromo-4-isopropyl-phenyl)-7-(di-sec-butyl-amino)-5-methyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
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| Structure |
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| Formula |
C23H31BrN4S2
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| Molecular Weight |
507.567
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| Canonical SMILES |
CCC(C)N(C(C)CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12
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| InChI |
InChI=1S/C23H31BrN4S2/c1-8-14(5)27(15(6)9-2)21-20-22(26-16(7)25-21)28(23(29)30-20)19-11-10-17(13(3)4)12-18(19)24/h10-15H,8-9H2,1-7H3
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| InChIKey |
GICGUEOSIUEYIY-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