General Information of the Compound
| Compound ID |
CP0050325
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| Compound Name |
4-{3-[2-(7-Methyl-1H-indol-3-yl)-ethylsulfanyl]-5-quinolin-2-yl-[1,2,4]triazol-4-yl}-butylamine
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| Structure |
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| Formula |
C26H28N6S
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| Molecular Weight |
456.619
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| Canonical SMILES |
Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12
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| InChI |
InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3
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| InChIKey |
XFPKKPUAPZGFCK-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