General Information of the Compound
| Compound ID |
CP0852387
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| Compound Name |
(R)-Nalpha-Diphenylacetyl-{4-[4-(2-aminoethylaminocarbonyl)aminobutylaminocarbonyl-aminomethyl]benzyl}argininamidebis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C38H51F3N10O6
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| Molecular Weight |
800.884
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)NCCN)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C36H50N10O4.C2HF3O2/c37-19-23-43-35(49)41-20-7-8-21-42-36(50)45-25-27-17-15-26(16-18-27)24-44-32(47)30(14-9-22-40-34(38)39)46-33(48)31(28-10-3-1-4-11-28)29-12-5-2-6-13-29;3-2(4,5)1(6)7/h1-6,10-13,15-18,30-31H,7-9,14,19-25,37H2,(H,44,47)(H,46,48)(H4,38,39,40)(H2,41,43,49)(H2,42,45,50);(H,6,7)/t30-;/m1./s1
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| InChIKey |
IXLUAVGVKFAMOS-VNUFCWELSA-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