General Information of the Compound
| Compound ID |
CP0516322
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| Compound Name |
(R)-benzyl 4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-9-imino-3,11,18-trioxo-2,8,10,19-tetraazadocosan-22-oate
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| Structure |
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| Formula |
C45H54N6O7
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| Molecular Weight |
790.962
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| Canonical SMILES |
NC(NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C45H54N6O7/c46-45(51-40(54)23-13-2-1-12-22-39(53)47-30-28-41(55)58-32-34-15-6-3-7-16-34)48-29-14-21-38(43(56)49-31-33-24-26-37(52)27-25-33)50-44(57)42(35-17-8-4-9-18-35)36-19-10-5-11-20-36/h3-11,15-20,24-27,38,42,52H,1-2,12-14,21-23,28-32H2,(H,47,53)(H,49,56)(H,50,57)(H3,46,48,51,54)/t38-/m1/s1
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| InChIKey |
PMLFMHBLGQXOCS-KXQOOQHDSA-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