General Information of the Compound
| Compound ID |
CP0526889
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)c1cc2ccccc2cn1)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N6O2/c25-24(26,27)18-9-7-15(8-10-18)13-32-21(34)19(6-3-11-30-23(28)29)33-22(35)20-12-16-4-1-2-5-17(16)14-31-20/h1-2,4-5,7-10,12,14,19H,3,6,11,13H2,(H,32,34)(H,33,35)(H4,28,29,30)/t19-/m1/s1
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| InChIKey |
KXUKMUPVXLHVKX-LJQANCHMSA-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