General Information of the Compound
| Compound ID |
CP0870338
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| Compound Name |
(R)-Nalpha-Diphenylacetyl-{4-[4-(2-aminoacetyl)aminobutylaminocarbonylaminomethyl]benzyl}argininamide bis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C37H48F3N9O6
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| Molecular Weight |
771.842
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CN)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C35H47N9O4.C2HF3O2/c36-22-30(45)39-19-7-8-20-41-35(48)43-24-26-17-15-25(16-18-26)23-42-32(46)29(14-9-21-40-34(37)38)44-33(47)31(27-10-3-1-4-11-27)28-12-5-2-6-13-28;3-2(4,5)1(6)7/h1-6,10-13,15-18,29,31H,7-9,14,19-24,36H2,(H,39,45)(H,42,46)(H,44,47)(H4,37,38,40)(H2,41,43,48);(H,6,7)/t29-;/m1./s1
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| InChIKey |
YHRAPYPKOBSQSC-XXIQNXCHSA-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