General Information of the Compound
| Compound ID |
CP0919596
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| Compound Name |
({(4R)-4-[(Diphenylacetyl)amino]-5-[(4-hydroxybenzyl)-amino]-5-oxopentyl}amino){[4-(4-phenyl-1H-1,2,3-triazol-1-yl)butanoyl]amino}methaniminium trifluoroacetate
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| Structure |
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| Formula |
C41H43F3N8O6
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| Molecular Weight |
800.839
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| Canonical SMILES |
N/C(=N/C(=O)CCCn1cc(-c2ccccc2)nn1)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/C39H42N8O4.C2HF3O2/c40-39(44-35(49)19-11-25-47-27-34(45-46-47)29-12-4-1-5-13-29)41-24-10-18-33(37(50)42-26-28-20-22-32(48)23-21-28)43-38(51)36(30-14-6-2-7-15-30)31-16-8-3-9-17-31;3-2(4,5)1(6)7/h1-9,12-17,20-23,27,33,36,48H,10-11,18-19,24-26H2,(H,42,50)(H,43,51)(H3,40,41,44,49);(H,6,7)/t33-;/m1./s1
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| InChIKey |
RENMJQLPRIEKCC-MGDILKBHSA-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