General Information of the Compound
| Compound ID |
CP0402076
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| Compound Name |
(R)-4-(2,2-Diphenylacetamido)-1-(4-hydroxyphenyl)-9-iminio-3,11,18-trioxo-2,8,10,19-tetraazahenicosan-21-aminium2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C38H49N7O6
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| Molecular Weight |
699.853
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| Canonical SMILES |
NC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C38H49N7O6/c39-32(47)23-25-41-33(48)17-9-1-2-10-18-34(49)45-38(40)42-24-11-16-31(36(50)43-26-27-19-21-30(46)22-20-27)44-37(51)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,12-15,19-22,31,35,46H,1-2,9-11,16-18,23-26H2,(H2,39,47)(H,41,48)(H,43,50)(H,44,51)(H3,40,42,45,49)/t31-/m1/s1
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| InChIKey |
PDRWQVBFNOAQSU-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