General Information of the Compound
| Compound ID |
CP0075072
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| Compound Name |
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C19H16N8
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| Molecular Weight |
356.393
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| Canonical SMILES |
Cc1nc(N)nc(n1)-n1c(Nc2ccc3cc[nH]c3c2)nc2ccccc12
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| InChI |
InChI=1S/C19H16N8/c1-11-22-17(20)26-18(23-11)27-16-5-3-2-4-14(16)25-19(27)24-13-7-6-12-8-9-21-15(12)10-13/h2-10,21H,1H3,(H,24,25)(H2,20,22,23,26)
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| InChIKey |
BFUAMEMDRSZWDZ-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