General Information of the Compound
| Compound ID |
CP0530236
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| Compound Name |
4-[(6-methoxy-1H-benzimidazol-2-yl)methylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C16H17N5O
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| Molecular Weight |
295.346
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| Canonical SMILES |
COc1ccc2[nH]c(CNc3ccc(cc3)C(N)=N)nc2c1
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| InChI |
InChI=1S/C16H17N5O/c1-22-12-6-7-13-14(8-12)21-15(20-13)9-19-11-4-2-10(3-5-11)16(17)18/h2-8,19H,9H2,1H3,(H3,17,18)(H,20,21)
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| InChIKey |
RZADLVZIZRFESU-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