General Information of the Compound
| Compound ID |
CP0179945
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| Compound Name |
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C21H30N6
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| Molecular Weight |
366.513
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| Canonical SMILES |
NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
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| InChI |
InChI=1S/C21H30N6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13,26-27H,1-5,14-15H2,(H3,22,23)(H3,24,25)
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| InChIKey |
CPBAVONBUJGRKD-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