General Information of the Compound
| Compound ID |
CP0413003
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| Compound Name |
4-[(1-methylbenzimidazol-2-yl)methylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C16H17N5
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| Molecular Weight |
279.347
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| Canonical SMILES |
Cn1c(CNc2ccc(cc2)C(N)=N)nc2ccccc12
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| InChI |
InChI=1S/C16H17N5/c1-21-14-5-3-2-4-13(14)20-15(21)10-19-12-8-6-11(7-9-12)16(17)18/h2-9,19H,10H2,1H3,(H3,17,18)
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| InChIKey |
CRFIJIVTJBPKIF-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