General Information of the Compound
| Compound ID |
CP0481723
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| Compound Name |
1-(2-(5-(4-chlorobenzyl)-1-(furan-3-yl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
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| Structure |
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| Formula |
C17H18ClN7O3
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| Molecular Weight |
403.83
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| Canonical SMILES |
NC(N)=NCCNc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccoc1
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| InChI |
InChI=1S/C17H18ClN7O3/c18-12-3-1-11(2-4-12)9-24-16(26)23-15(22-7-6-21-14(19)20)25(17(24)27)13-5-8-28-10-13/h1-5,8,10H,6-7,9H2,(H4,19,20,21)(H,22,23,26)
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| InChIKey |
MECBNKHQRLUXQT-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