General Information of the Compound
| Compound ID |
CP0398608
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| Compound Name |
(R)-18-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11-dioxo-2,8,10,17-tetraazaoctadecane-9,18-diiminium2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C34H44N8O4
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| Molecular Weight |
628.778
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| Canonical SMILES |
NC(N)=NCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C34H44N8O4/c35-33(36)38-21-9-3-8-16-29(44)42-34(37)39-22-10-15-28(31(45)40-23-24-17-19-27(43)20-18-24)41-32(46)30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-2,4-7,11-14,17-20,28,30,43H,3,8-10,15-16,21-23H2,(H,40,45)(H,41,46)(H4,35,36,38)(H3,37,39,42,44)/t28-/m1/s1
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| InChIKey |
KRHMGINKZJDJMP-MUUNZHRXSA-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