General Information of the Compound
| Compound ID |
CP0482611
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| Compound Name |
1,5-dimethyl-6-[2-methyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)phenyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H20N4O3S
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| Molecular Weight |
420.494
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| Canonical SMILES |
Cc1cc(Oc2ncnc3sc4CCCc4c23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
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| InChI |
InChI=1S/C22H20N4O3S/c1-11-9-13(7-8-14(11)18-12(2)19(27)25-22(28)26(18)3)29-20-17-15-5-4-6-16(15)30-21(17)24-10-23-20/h7-10H,4-6H2,1-3H3,(H,25,27,28)
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| InChIKey |
QLFONZXDWOHSDK-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