General Information of the Compound
| Compound ID |
CP0137531
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| Compound Name |
1-(4-methyl-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C17H15N9
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| Molecular Weight |
345.37
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| Canonical SMILES |
Cc1nc(NCC#C)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
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| InChI |
InChI=1S/C17H15N9/c1-3-9-18-15-20-11(2)21-16(24-15)26-13-7-5-4-6-12(13)22-17(26)23-14-8-10-19-25-14/h1,4-8,10H,9H2,2H3,(H,18,20,21,24)(H2,19,22,23,25)
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| InChIKey |
SSYRSGUUTKCTEB-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