General Information of the Compound
| Compound ID |
CP0384146
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| Compound Name |
formic acid;4-[(6-methyl-1H-benzimidazol-2-yl)methylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C17H19N5O2
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| Molecular Weight |
325.372
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| Canonical SMILES |
OC=O.Cc1ccc2[nH]c(CNc3ccc(cc3)C(N)=N)nc2c1
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| InChI |
InChI=1S/C16H17N5.CH2O2/c1-10-2-7-13-14(8-10)21-15(20-13)9-19-12-5-3-11(4-6-12)16(17)18;2-1-3/h2-8,19H,9H2,1H3,(H3,17,18)(H,20,21);1H,(H,2,3)
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| InChIKey |
WPRMECBDLOUPKB-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