General Information of the Compound
| Compound ID |
CP0861485
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| Compound Name |
(R)-5-(2-(4-aminobutylcarbamoyl)guanidino)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)pentanamide trifluoroacetate
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| Structure |
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| Formula |
C34H42F3N7O6
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| Molecular Weight |
701.747
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| Canonical SMILES |
NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C32H41N7O4.C2HF3O2/c33-19-7-8-20-36-32(43)39-31(34)35-21-9-14-27(29(41)37-22-23-15-17-26(40)18-16-23)38-30(42)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25;3-2(4,5)1(6)7/h1-6,10-13,15-18,27-28,40H,7-9,14,19-22,33H2,(H,37,41)(H,38,42)(H4,34,35,36,39,43);(H,6,7)/t27-;/m1./s1
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| InChIKey |
RAJGAWOGZQUQNC-HZPIKELBSA-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