General Information of the Compound
| Compound ID |
CP0499942
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)benzo[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C23H24F3N5O2S
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| Molecular Weight |
491.539
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)c1csc2ccccc12)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5O2S/c24-23(25,26)15-9-7-14(8-10-15)12-30-21(33)18(5-3-11-29-22(27)28)31-20(32)17-13-34-19-6-2-1-4-16(17)19/h1-2,4,6-10,13,18H,3,5,11-12H2,(H,30,33)(H,31,32)(H4,27,28,29)/t18-/m1/s1
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| InChIKey |
WKKALYPQVFQIRI-GOSISDBHSA-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