General Information of the Compound
| Compound ID |
CP0495792
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| Compound Name |
8-bromo-3-(4-chloro-phenyl)-9-methylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H10BrClN4OS
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| Molecular Weight |
421.707
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| Canonical SMILES |
CNc1c(Br)cnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
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| InChI |
InChI=1S/C16H10BrClN4OS/c1-19-12-10(17)6-20-15-11(12)13-14(24-15)16(23)22(7-21-13)9-4-2-8(18)3-5-9/h2-7H,1H3,(H,19,20)
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| InChIKey |
PFKFGKXVMKQDJI-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