General Information of the Compound
| Compound ID |
CP0442722
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| Compound Name |
(R)-5-guanidino-2-(2-(naphthalen-1-yl)acetamido)-N-(4-(trifluoromethyl)benzyl)pentanamide
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| Structure |
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| Formula |
C26H28F3N5O2
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| Molecular Weight |
499.537
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N5O2/c27-26(28,29)20-12-10-17(11-13-20)16-33-24(36)22(9-4-14-32-25(30)31)34-23(35)15-19-7-3-6-18-5-1-2-8-21(18)19/h1-3,5-8,10-13,22H,4,9,14-16H2,(H,33,36)(H,34,35)(H4,30,31,32)/t22-/m1/s1
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| InChIKey |
SAQPKSYQYLDSSI-JOCHJYFZSA-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