General Information of the Compound
| Compound ID |
CP0432696
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| Compound Name |
(R)-5-fluoro-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H24F4N6O2
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| Molecular Weight |
492.477
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N6O2/c24-16-7-8-17-14(10-16)11-19(32-17)21(35)33-18(2-1-9-30-22(28)29)20(34)31-12-13-3-5-15(6-4-13)23(25,26)27/h3-8,10-11,18,32H,1-2,9,12H2,(H,31,34)(H,33,35)(H4,28,29,30)/t18-/m1/s1
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| InChIKey |
AKFNZWADMIAXFH-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