General Information of the Compound
| Compound ID |
CP0528488
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| Compound Name |
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCC(=O)NCC1CC1
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| InChI |
InChI=1S/C23H26N6O2/c24-23(25)18-9-8-17(10-20(18)31-14-22(30)28-11-15-6-7-15)26-13-21-27-12-19(29-21)16-4-2-1-3-5-16/h1-5,8-10,12,15,26H,6-7,11,13-14H2,(H3,24,25)(H,27,29)(H,28,30)
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| InChIKey |
RZQUERSYMCZRME-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