General Information of the Compound
| Compound ID |
CP0231244
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| Compound Name |
4-[4-(4-carbamimidoylphenyl)-1,4-diazepan-1-yl]benzenecarboximidamide
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| Structure |
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| Formula |
C19H24N6
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| Molecular Weight |
336.443
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| Canonical SMILES |
NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)
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| InChIKey |
INGAEVQROKUCFW-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