General Information of the Compound
| Compound ID |
CP0499379
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| Compound Name |
10-(4-methoxy-2-methylphenyl)-11-methyl-N-pentan-3-yl-5-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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| Structure |
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| Formula |
C22H28N4OS
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| Molecular Weight |
396.56
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| Canonical SMILES |
CCC(CC)Nc1c2CSCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C22H28N4OS/c1-6-15(7-2)23-21-18-11-28-12-19(18)24-22-20(14(4)25-26(21)22)17-9-8-16(27-5)10-13(17)3/h8-10,15,23H,6-7,11-12H2,1-5H3
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| InChIKey |
KKWGEXKIRPFRKL-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