General Information of the Compound
| Compound ID |
CP0544454
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| Compound Name |
N-[1-(8-aminooctylamino)ethenyl]-N'-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]ethanimidamide
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| Structure |
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| Formula |
C17H33N7S
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| Molecular Weight |
367.567
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| Canonical SMILES |
C\C(NCCCc1nnc(N)s1)=N/C(=C)NCCCCCCCCN
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| InChI |
InChI=1S/C17H33N7S/c1-14(20-12-8-6-4-3-5-7-11-18)22-15(2)21-13-9-10-16-23-24-17(19)25-16/h20H,1,3-13,18H2,2H3,(H2,19,24)(H,21,22)
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| InChIKey |
UMPJUSDGMGTAAB-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