General Information of the Compound
| Compound ID |
CP0374572
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| Compound Name |
(R)-N-(N-(4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentyl)carbamimidoyl)pentacosa-10,12-diynamide
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| Structure |
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| Formula |
C52H71N5O4
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| Molecular Weight |
830.171
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| Canonical SMILES |
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C52H71N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-36-48(59)57-52(53)54-41-30-35-47(50(60)55-42-43-37-39-46(58)40-38-43)56-51(61)49(44-31-25-23-26-32-44)45-33-27-24-28-34-45/h23-28,31-34,37-40,47,49,58H,2-12,17-22,29-30,35-36,41-42H2,1H3,(H,55,60)(H,56,61)(H3,53,54,57,59)/t47-/m1/s1
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| InChIKey |
JYQYGDUPUBVKMX-QZNUWAOFSA-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