General Information of the Compound
| Compound ID |
CP0507882
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| Compound Name |
2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-isopropylpropanamide
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| Structure |
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| Formula |
C22H23N5OS
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| Molecular Weight |
405.527
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| Canonical SMILES |
CC(C)NC(=O)C(C)Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C22H23N5OS/c1-14(2)23-21(28)15(3)29-22-24-20-19(25-26-22)17-11-7-8-12-18(17)27(20)13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,23,28)
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| InChIKey |
FXQAHKCRKNITQZ-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