General Information of the Compound
| Compound ID |
CP0659839
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| Compound Name |
N1-(3,3-Diphenylpropanoyl)-N2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
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| Structure |
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| Formula |
C21H24N6O
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| Molecular Weight |
376.464
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| Canonical SMILES |
N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1
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| InChI |
InChI=1S/C21H24N6O/c22-21(23-13-7-12-19-24-15-25-27-19)26-20(28)14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,27)(H3,22,23,26,28)
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| InChIKey |
LCGNLHLIZIMPIZ-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