General Information of the Compound
| Compound ID |
CP0435475
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| Compound Name |
N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
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| Structure |
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| Formula |
C29H25N7OS
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| Molecular Weight |
519.634
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)
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| InChIKey |
NOTFJSIATRPNAH-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