General Information of the Compound
| Compound ID |
CP0382184
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| Compound Name |
(2R)-5-[[amino-[[1-(3-azidophenyl)triazol-4-yl]methylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C39H39F3N12O6
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| Molecular Weight |
828.813
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| Canonical SMILES |
OC(=O)C(F)(F)F.N\C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=N\C(=O)NCc1cn(nn1)-c1cccc(c1)N=[N+]=[N-]
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| InChI |
InChI=1S/C37H38N12O4.C2HF3O2/c38-36(44-37(53)42-23-29-24-49(48-46-29)30-14-7-13-28(21-30)45-47-39)40-20-8-15-32(34(51)41-22-25-16-18-31(50)19-17-25)43-35(52)33(26-9-3-1-4-10-26)27-11-5-2-6-12-27;3-2(4,5)1(6)7/h1-7,9-14,16-19,21,24,32-33,50H,8,15,20,22-23H2,(H,41,51)(H,43,52)(H4,38,40,42,44,53);(H,6,7)/t32-;/m1./s1
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| InChIKey |
OBFHGJCVJBWIBK-RYWNGCACSA-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