General Information of the Compound
| Compound ID |
CP0169966
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| Compound Name |
3-(4-(2-(1H-pyrazol-3-ylamino)-1H-benzo[d]imidazol-1-yl)-6-methyl-1,3,5-triazin-2-ylamino)propanenitrile
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| Structure |
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| Formula |
C17H16N10
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| Molecular Weight |
360.385
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| Canonical SMILES |
Cc1nc(NCCC#N)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
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| InChI |
InChI=1S/C17H16N10/c1-11-21-15(19-9-4-8-18)25-16(22-11)27-13-6-3-2-5-12(13)23-17(27)24-14-7-10-20-26-14/h2-3,5-7,10H,4,9H2,1H3,(H,19,21,22,25)(H2,20,23,24,26)
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| InChIKey |
XOMIZGULIHREBM-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