General Information of the Compound
| Compound ID |
CP0417037
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| Compound Name |
2-[2-(dimethylamino)ethoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
CN(C)CCOc1cc(NCc2nc(c[nH]2)-c2ccccc2)ccc1C(N)=N
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| InChI |
InChI=1S/C21H26N6O/c1-27(2)10-11-28-19-12-16(8-9-17(19)21(22)23)24-14-20-25-13-18(26-20)15-6-4-3-5-7-15/h3-9,12-13,24H,10-11,14H2,1-2H3,(H3,22,23)(H,25,26)
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| InChIKey |
ITQRHXNRVOUJTK-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
Protein ID: PT01859, Kallikrein-1
Protein ID: PT02568, Kallikrein-5