General Information of the Compound
| Compound ID |
CP0477596
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| Compound Name |
(R)-21-Carboxy-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,18-trioxo-2,8,10,19-tetraazahenicosan-9-iminium2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C38H48N6O7
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| Molecular Weight |
700.837
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| Canonical SMILES |
NC(NC(=O)CCCCCCC(=O)NCCC(O)=O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C38H48N6O7/c39-38(44-33(47)18-10-2-1-9-17-32(46)40-25-23-34(48)49)41-24-11-16-31(36(50)42-26-27-19-21-30(45)22-20-27)43-37(51)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,12-15,19-22,31,35,45H,1-2,9-11,16-18,23-26H2,(H,40,46)(H,42,50)(H,43,51)(H,48,49)(H3,39,41,44,47)/t31-/m1/s1
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| InChIKey |
PULFOEDOYWOIME-WJOKGBTCSA-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